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| Stem definition | Drug id | CAS RN |
|---|---|---|
| calcium channel blockers, nifedipine derivatives | 1947 | 39562-70-4 |
| Dose | Unit | Route |
|---|---|---|
| 20 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.00 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0.50 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.92 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 16.50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 6.10 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 25 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.02 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 8.20 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.941 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.239 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 51.168 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 119.124 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 0.980 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 1.620 | % | High | 1 |
| herg | hERG pIC50 | 4.959 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 73.961 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 252.348 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 0.990 | % | High | 1 |
| kinase-safety-class | ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK1,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKDC,STK33,TEK,TTK,ZAP70 | 37 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,GRK2,MAPK7,PDK4,STK33,TEK | 8 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.104 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 80.724 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.530 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 5.610 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | Moderate | 0.72 | |
| pppb | Pig plasma protein binding (% unbound) | 1.620 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 193.642 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 17.410 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.690 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 22.182 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1985 | YEAR INTRODUCED |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Antinuclear antibody negative | 102.89 | 35.16 | 16 | 3000 | 270 | 90625161 |
| Fall | 94.74 | 35.16 | 97 | 2919 | 481713 | 90143718 |
| Coombs positive haemolytic anaemia | 94.28 | 35.16 | 16 | 3000 | 474 | 90624957 |
| Product prescribing error | 79.97 | 35.16 | 32 | 2984 | 30113 | 90595318 |
| Herpes simplex reactivation | 76.45 | 35.16 | 15 | 3001 | 1004 | 90624427 |
| General physical health deterioration | 74.22 | 35.16 | 74 | 2942 | 355041 | 90270390 |
| Gastritis haemorrhagic | 73.50 | 35.16 | 16 | 3000 | 1784 | 90623647 |
| Antiphospholipid syndrome | 69.78 | 35.16 | 16 | 3000 | 2258 | 90623173 |
| Complex regional pain syndrome | 67.29 | 35.16 | 16 | 3000 | 2643 | 90622788 |
| Hypertensive crisis | 61.86 | 35.16 | 23 | 2993 | 17761 | 90607670 |
| Anxiety disorder | 57.51 | 35.16 | 16 | 3000 | 4906 | 90620525 |
| Lymphopenia | 56.23 | 35.16 | 23 | 2993 | 22858 | 90602573 |
| Hyperlipidaemia | 52.80 | 35.16 | 22 | 2994 | 22894 | 90602537 |
| Leukopenia | 50.63 | 35.16 | 35 | 2981 | 100675 | 90524756 |
| Erysipelas | 47.90 | 35.16 | 16 | 3000 | 9036 | 90616395 |
| Torticollis | 47.49 | 35.16 | 12 | 3004 | 2546 | 90622885 |
| Hypertensive angiopathy | 47.31 | 35.16 | 7 | 3009 | 83 | 90625348 |
| Pleuritic pain | 45.63 | 35.16 | 16 | 3000 | 10445 | 90614986 |
| Premature baby | 44.43 | 35.16 | 20 | 2996 | 25057 | 90600374 |
| Pancreatitis acute | 39.71 | 35.16 | 20 | 2996 | 32095 | 90593336 |
| Bradycardia | 39.47 | 35.16 | 28 | 2988 | 83819 | 90541612 |
| Peritonitis | 39.04 | 35.16 | 17 | 2999 | 19688 | 90605743 |
| Hypertension | 37.84 | 35.16 | 60 | 2956 | 457472 | 90167959 |
| Aspergillus infection | 37.63 | 35.16 | 14 | 3002 | 10809 | 90614622 |
| Pneumocystis jirovecii pneumonia | 37.53 | 35.16 | 17 | 2999 | 21599 | 90603832 |
| Humerus fracture | 35.28 | 35.16 | 13 | 3003 | 9772 | 90615659 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Rectal prolapse | 106.10 | 33.33 | 21 | 3705 | 547 | 42617062 |
| Renal cyst haemorrhage | 102.02 | 33.33 | 21 | 3705 | 669 | 42616940 |
| Abdominal wall haemorrhage | 83.86 | 33.33 | 17 | 3709 | 501 | 42617108 |
| Vena cava injury | 78.24 | 33.33 | 15 | 3711 | 329 | 42617280 |
| Carotid arteriosclerosis | 76.59 | 33.33 | 21 | 3705 | 2311 | 42615298 |
| SARS-CoV-2 antibody test positive | 75.84 | 33.33 | 15 | 3711 | 389 | 42617220 |
| Delayed graft function | 74.05 | 33.33 | 21 | 3705 | 2614 | 42614995 |
| Vascular anastomotic haemorrhage | 73.38 | 33.33 | 14 | 3712 | 299 | 42617310 |
| Spinal osteoarthritis | 66.71 | 33.33 | 26 | 3700 | 8660 | 42608949 |
| Mean cell volume increased | 65.81 | 33.33 | 21 | 3705 | 3902 | 42613707 |
| Product prescribing error | 65.73 | 33.33 | 36 | 3690 | 26076 | 42591533 |
| Left ventricular hypertrophy | 64.94 | 33.33 | 26 | 3700 | 9293 | 42608316 |
| Diverticulum intestinal | 64.23 | 33.33 | 22 | 3704 | 5091 | 42612518 |
| Vascular compression | 64.19 | 33.33 | 13 | 3713 | 381 | 42617228 |
| Aortic dilatation | 64.07 | 33.33 | 17 | 3709 | 1652 | 42615957 |
| Hyperparathyroidism secondary | 62.41 | 33.33 | 17 | 3709 | 1825 | 42615784 |
| Hepatosplenomegaly | 62.26 | 33.33 | 21 | 3705 | 4639 | 42612970 |
| Dizziness | 61.52 | 33.33 | 91 | 3635 | 249163 | 42368446 |
| Intraductal papillary mucinous neoplasm | 61.34 | 33.33 | 13 | 3713 | 478 | 42617131 |
| Aortic arteriosclerosis | 60.32 | 33.33 | 21 | 3705 | 5099 | 42612510 |
| Actinic keratosis | 60.10 | 33.33 | 21 | 3705 | 5155 | 42612454 |
| Renal artery stenosis | 58.55 | 33.33 | 17 | 3709 | 2300 | 42615309 |
| Perineal cyst | 57.60 | 33.33 | 11 | 3715 | 236 | 42617373 |
| Syncope | 57.33 | 33.33 | 56 | 3670 | 99350 | 42518259 |
| Gastroduodenal ulcer | 56.47 | 33.33 | 13 | 3713 | 702 | 42616907 |
| Intervertebral disc space narrowing | 55.30 | 33.33 | 14 | 3712 | 1131 | 42616478 |
| Blood 25-hydroxycholecalciferol decreased | 54 | 33.33 | 11 | 3715 | 332 | 42617277 |
| Hemiparaesthesia | 53.57 | 33.33 | 10 | 3716 | 189 | 42617420 |
| Spinal stenosis | 52.12 | 33.33 | 20 | 3706 | 6386 | 42611223 |
| General physical health deterioration | 48.92 | 33.33 | 63 | 3663 | 151183 | 42466426 |
| Restless legs syndrome | 47.48 | 33.33 | 21 | 3705 | 9593 | 42608016 |
| Benign prostatic hyperplasia | 44.77 | 33.33 | 26 | 3700 | 21026 | 42596583 |
| Glycosylated haemoglobin increased | 44.51 | 33.33 | 22 | 3704 | 12902 | 42604707 |
| Swelling of eyelid | 42.42 | 33.33 | 13 | 3713 | 2115 | 42615494 |
| Squamous cell carcinoma of skin | 41.86 | 33.33 | 21 | 3705 | 12705 | 42604904 |
| Aortic valve incompetence | 41.26 | 33.33 | 17 | 3709 | 6531 | 42611078 |
| Vitamin D decreased | 39.99 | 33.33 | 15 | 3711 | 4500 | 42613109 |
| Vertigo | 37.60 | 33.33 | 28 | 3698 | 34319 | 42583290 |
| Complications of transplanted kidney | 37.52 | 33.33 | 15 | 3711 | 5335 | 42612274 |
| Swelling | 37.49 | 33.33 | 34 | 3692 | 54851 | 42562758 |
| Activated partial thromboplastin time prolonged | 37.46 | 33.33 | 21 | 3705 | 15882 | 42601727 |
| Blood potassium increased | 37.06 | 33.33 | 22 | 3704 | 18514 | 42599095 |
| Tongue biting | 36.67 | 33.33 | 10 | 3716 | 1077 | 42616532 |
| Haemorrhoids | 36.04 | 33.33 | 21 | 3705 | 17076 | 42600533 |
| Pulmonary hypertension | 34.61 | 33.33 | 23 | 3703 | 23546 | 42594063 |
| Hepatic steatosis | 34.10 | 33.33 | 22 | 3704 | 21426 | 42596183 |
| Osteochondrosis | 34.04 | 33.33 | 10 | 3716 | 1408 | 42616201 |
| Oedema peripheral | 33.88 | 33.33 | 50 | 3676 | 136026 | 42481583 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Product prescribing error | 151.04 | 31.85 | 68 | 6060 | 51263 | 110531908 |
| General physical health deterioration | 119.97 | 31.85 | 132 | 5996 | 425163 | 110158008 |
| Renal cyst haemorrhage | 109.50 | 31.85 | 21 | 6107 | 740 | 110582431 |
| Syncope | 96.74 | 31.85 | 84 | 6044 | 202452 | 110380719 |
| Delayed graft function | 96.56 | 31.85 | 26 | 6102 | 4231 | 110578940 |
| Dizziness | 88.89 | 31.85 | 147 | 5981 | 698046 | 109885125 |
| Abdominal wall haemorrhage | 85.23 | 31.85 | 17 | 6111 | 736 | 110582435 |
| Vena cava injury | 84.72 | 31.85 | 15 | 6113 | 337 | 110582834 |
| Rectal prolapse | 84.10 | 31.85 | 21 | 6107 | 2542 | 110580629 |
| SARS-CoV-2 antibody test positive | 82.25 | 31.85 | 15 | 6113 | 400 | 110582771 |
| Carotid arteriosclerosis | 80.43 | 31.85 | 21 | 6107 | 3036 | 110580135 |
| Vascular anastomotic haemorrhage | 79.74 | 31.85 | 14 | 6114 | 299 | 110582872 |
| Bradycardia | 79.31 | 31.85 | 67 | 6061 | 155450 | 110427721 |
| Renal artery stenosis | 71.71 | 31.85 | 20 | 6108 | 3706 | 110579465 |
| Left ventricular hypertrophy | 71.13 | 31.85 | 27 | 6101 | 13217 | 110569954 |
| Complications of transplanted kidney | 69.94 | 31.85 | 23 | 6105 | 7419 | 110575752 |
| Tongue biting | 66.88 | 31.85 | 18 | 6110 | 2921 | 110580250 |
| Aortic dilatation | 66.74 | 31.85 | 17 | 6111 | 2229 | 110580942 |
| Fall | 64.82 | 31.85 | 118 | 6010 | 603364 | 109979807 |
| Hepatosplenomegaly | 63.49 | 31.85 | 21 | 6107 | 6898 | 110576273 |
| Actinic keratosis | 63.21 | 31.85 | 21 | 6107 | 6992 | 110576179 |
| Perineal cyst | 62.74 | 31.85 | 11 | 6117 | 233 | 110582938 |
| Vascular compression | 61.22 | 31.85 | 13 | 6115 | 768 | 110582403 |
| Hyperparathyroidism secondary | 60.23 | 31.85 | 17 | 6111 | 3287 | 110579884 |
| Intraductal papillary mucinous neoplasm | 59.99 | 31.85 | 13 | 6115 | 846 | 110582325 |
| Mean cell volume increased | 59.67 | 31.85 | 21 | 6107 | 8309 | 110574862 |
| Benign prostatic hyperplasia | 59.50 | 31.85 | 26 | 6102 | 18208 | 110564963 |
| Gastroduodenal ulcer | 58.40 | 31.85 | 13 | 6115 | 958 | 110582213 |
| Blood 25-hydroxycholecalciferol decreased | 55.40 | 31.85 | 11 | 6117 | 465 | 110582706 |
| Intervertebral disc space narrowing | 54.61 | 31.85 | 14 | 6114 | 1882 | 110581289 |
| Aortic arteriosclerosis | 54.09 | 31.85 | 21 | 6107 | 10917 | 110572254 |
| Diverticulum intestinal | 52.69 | 31.85 | 21 | 6107 | 11698 | 110571473 |
| Hemiparaesthesia | 50.95 | 31.85 | 10 | 6118 | 398 | 110582773 |
| Spinal osteoarthritis | 50.75 | 31.85 | 24 | 6104 | 20159 | 110563012 |
| Squamous cell carcinoma of skin | 44.93 | 31.85 | 21 | 6107 | 17182 | 110565989 |
| Glycosylated haemoglobin increased | 44.27 | 31.85 | 23 | 6105 | 23596 | 110559575 |
| Hypertensive angiopathy | 42.73 | 31.85 | 7 | 6121 | 97 | 110583074 |
| Presyncope | 42.52 | 31.85 | 29 | 6099 | 48858 | 110534313 |
| Hypertensive crisis | 40.78 | 31.85 | 22 | 6106 | 24350 | 110558821 |
| Antinuclear antibody negative | 40.03 | 31.85 | 7 | 6121 | 146 | 110583025 |
| Spinal stenosis | 39.91 | 31.85 | 20 | 6108 | 19036 | 110564135 |
| Activated partial thromboplastin time prolonged | 39.70 | 31.85 | 21 | 6107 | 22347 | 110560824 |
| Torticollis | 38.69 | 31.85 | 12 | 6116 | 3209 | 110579962 |
| Restless legs syndrome | 37.80 | 31.85 | 21 | 6107 | 24605 | 110558566 |
| Hypertension | 37.12 | 31.85 | 85 | 6043 | 509999 | 110073172 |
| Dysuria | 37.09 | 31.85 | 29 | 6099 | 60202 | 110522969 |
| Blood potassium increased | 34.44 | 31.85 | 22 | 6106 | 33227 | 110549944 |
| Swelling of eyelid | 33.70 | 31.85 | 13 | 6115 | 6640 | 110576531 |
| Haematoma | 33.53 | 31.85 | 27 | 6101 | 58449 | 110524722 |
| Postrenal failure | 32.89 | 31.85 | 8 | 6120 | 868 | 110582303 |
| Arteriosclerosis | 32.33 | 31.85 | 19 | 6109 | 24748 | 110558423 |
| Vitamin D decreased | 32.17 | 31.85 | 15 | 6113 | 12200 | 110570971 |
| Anaemia | 32.16 | 31.85 | 84 | 6044 | 547002 | 110036169 |
| Abdominal pain lower | 32.14 | 31.85 | 22 | 6106 | 37261 | 110545910 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C08CA08 | CARDIOVASCULAR SYSTEM CALCIUM CHANNEL BLOCKERS SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS Dihydropyridine derivatives |
| ATC | C09BB06 | CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, COMBINATIONS ACE inhibitors and calcium channel blockers |
| MeSH PA | D000077264 | Calcium-Regulating Hormones and Agents |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002121 | Calcium Channel Blockers |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D014665 | Vasodilator Agents |
| MeSH PA | D049990 | Membrane Transport Modulators |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35620 | vasodilator agent |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:38215 | calcium channel blocker |
| CHEBI has role | CHEBI:176497 | geroprotector |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.37 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1D | Ion channel | GATING INHIBITOR | IC50 | 8.40 | IUPHAR | IUPHAR | |||
| Voltage-dependent L-type calcium channel subunit alpha-1C | Ion channel | BLOCKER | Ki | 9.60 | CHEMBL | SCIENTIFIC LITERATURE | |||
| Intermediate conductance calcium-activated potassium channel protein 4 | Ion channel | BLOCKER | IC50 | 7.60 | IUPHAR | ||||
| Voltage-dependent calcium channel gamma-1 subunit | Ion channel | WOMBAT-PK | |||||||
| Transthyretin | Secreted | IC50 | 5.92 | WOMBAT-PK | |||||
| ATP-binding cassette sub-family G member 2 | Transporter | IC50 | 4.68 | CHEMBL | |||||
| Cytochrome P450 2C9 | Enzyme | IC50 | 6.52 | DRUG MATRIX | |||||
| Voltage-dependent T-type calcium channel subunit alpha-1H | Ion channel | IC50 | 5.06 | WOMBAT-PK | |||||
| Potassium voltage-gated channel subfamily H member 2 | Ion channel | IC50 | 5 | CHEMBL | |||||
| Voltage-dependent L-type calcium channel subunit alpha-1F | Ion channel | GATING INHIBITOR | IC50 | 6 | IUPHAR | ||||
| Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | Enzyme | IC50 | 5.73 | CHEMBL | |||||
| Sodium channel alpha subunits; brain (Types I, II, III) | Ion channel | IC50 | 4.44 | CHEMBL | |||||
| Cytochrome P450 2C19 | Enzyme | IC50 | 5.52 | DRUG MATRIX | |||||
| Adenosine receptor A3 | GPCR | Ki | 5.08 | WOMBAT-PK | |||||
| Adenosine receptor A1 | GPCR | Ki | 5.05 | CHEMBL | |||||
| Adenosine receptor A2a | GPCR | Ki | 4.64 | CHEMBL | |||||
| Voltage-dependent L-type calcium channel subunit alpha-1C | Ion channel | GATING INHIBITOR | IC50 | 6 | IUPHAR | ||||
| Voltage-dependent L-type calcium channel subunit alpha-1S | Ion channel | GATING INHIBITOR | IC50 | 6 | IUPHAR | ||||
| Platelet-activating factor receptor | GPCR | Ki | 4.13 | CHEMBL |
| ID | Source |
|---|---|
| N0000167238 | NUI |
| D00629 | KEGG_DRUG |
| C0028127 | UMLSCUI |
| CHEBI:7582 | CHEBI |
| CHEMBL475534 | ChEMBL_ID |
| DB01054 | DRUGBANK_ID |
| D009568 | MESH_DESCRIPTOR_UI |
| 4507 | PUBCHEM_CID |
| 2334 | IUPHAR_LIGAND_ID |
| 4739 | INN_ID |
| 9B627AW319 | UNII |
| 7441 | RXNORM |
| 005383 | NDDF |
| 444757009 | SNOMEDCT_US |
| 9B627AW319 | INXIGHT DRUGS |
None