Stem definition | Drug id | CAS RN |
---|---|---|
diazepam derivatives | 1202 | 1622-62-4 |
Dose | Unit | Route |
---|---|---|
1 | mg | O |
1 | mg | P |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | 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) | 0.11 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 80 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 1.90 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 1.40 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.17 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 25 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1976 | 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 |
---|---|---|---|---|---|---|
Intentional overdose | 133.59 | 25.04 | 72 | 3601 | 68045 | 56220349 |
Neuroleptic malignant syndrome | 116.10 | 25.04 | 39 | 3634 | 11439 | 56276955 |
Suicide attempt | 107.41 | 25.04 | 59 | 3614 | 57777 | 56230617 |
Altered state of consciousness | 106.35 | 25.04 | 44 | 3629 | 22977 | 56265417 |
Overdose | 101.93 | 25.04 | 71 | 3602 | 105759 | 56182635 |
Salivary hypersecretion | 83.51 | 25.04 | 27 | 3646 | 7023 | 56281371 |
Hepatic function abnormal | 68.94 | 25.04 | 37 | 3636 | 34521 | 56253873 |
Extrapyramidal disorder | 61.74 | 25.04 | 25 | 3648 | 12331 | 56276063 |
Psychiatric symptom | 59.19 | 25.04 | 19 | 3654 | 4825 | 56283569 |
Pneumonia aspiration | 51.79 | 25.04 | 30 | 3643 | 32381 | 56256013 |
Loss of consciousness | 50.86 | 25.04 | 48 | 3625 | 109301 | 56179093 |
Blood creatine phosphokinase increased | 50.39 | 25.04 | 28 | 3645 | 27924 | 56260470 |
Parkinsonism | 50.06 | 25.04 | 20 | 3653 | 9526 | 56278868 |
Toxicity to various agents | 48.35 | 25.04 | 66 | 3607 | 224498 | 56063896 |
Electrocardiogram QT prolonged | 46.40 | 25.04 | 34 | 3639 | 54554 | 56233840 |
Drowning | 42.45 | 25.04 | 9 | 3664 | 447 | 56287947 |
Hypothermia | 41.72 | 25.04 | 19 | 3654 | 12451 | 56275943 |
Delusion | 34.12 | 25.04 | 16 | 3657 | 11199 | 56277195 |
Stevens-Johnson syndrome | 33.62 | 25.04 | 20 | 3653 | 22643 | 56265751 |
Peritoneal perforation | 33.57 | 25.04 | 6 | 3667 | 120 | 56288274 |
Brain injury | 32.23 | 25.04 | 13 | 3660 | 6342 | 56282052 |
Carcinoid tumour of the stomach | 31.99 | 25.04 | 6 | 3667 | 158 | 56288236 |
White blood cell count increased | 31.67 | 25.04 | 25 | 3648 | 44734 | 56243660 |
Lip erosion | 31.44 | 25.04 | 8 | 3665 | 886 | 56287508 |
Malignant catatonia | 31.02 | 25.04 | 6 | 3667 | 187 | 56288207 |
Electrocardiogram J wave abnormal | 29.84 | 25.04 | 4 | 3669 | 9 | 56288385 |
Aspiration | 27.05 | 25.04 | 13 | 3660 | 9608 | 56278786 |
Respiratory depression | 26.71 | 25.04 | 14 | 3659 | 12421 | 56275973 |
Depressed level of consciousness | 26.63 | 25.04 | 25 | 3648 | 56408 | 56231986 |
Water intoxication | 26.27 | 25.04 | 6 | 3667 | 421 | 56287973 |
Cerebral infarction | 26.14 | 25.04 | 17 | 3656 | 22488 | 56265906 |
Schizophrenia | 25.97 | 25.04 | 13 | 3660 | 10486 | 56277908 |
Pain | 25.61 | 25.04 | 6 | 3667 | 663178 | 55625216 |
Thalamic infarction | 25.54 | 25.04 | 6 | 3667 | 476 | 56287918 |
Rhabdomyolysis | 25.15 | 25.04 | 21 | 3652 | 40637 | 56247757 |
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 |
---|---|---|---|---|---|---|
Neuroleptic malignant syndrome | 123.45 | 21.67 | 54 | 3917 | 16815 | 31676558 |
Hepatic function abnormal | 78.22 | 21.67 | 54 | 3917 | 41168 | 31652205 |
Altered state of consciousness | 74.32 | 21.67 | 41 | 3930 | 21010 | 31672363 |
Pneumonia aspiration | 71.75 | 21.67 | 50 | 3921 | 38676 | 31654697 |
Rhabdomyolysis | 65.43 | 21.67 | 58 | 3913 | 63523 | 31629850 |
Asphyxia | 57.44 | 21.67 | 23 | 3948 | 5728 | 31687645 |
Salivary hypersecretion | 57.12 | 21.67 | 25 | 3946 | 7767 | 31685606 |
Blood creatine phosphokinase increased | 46.57 | 21.67 | 40 | 3931 | 41934 | 31651439 |
Water intoxication | 42.51 | 21.67 | 10 | 3961 | 411 | 31692962 |
Suicide attempt | 38.30 | 21.67 | 34 | 3937 | 37214 | 31656159 |
Lymphocyte percentage increased | 37.77 | 21.67 | 8 | 3963 | 202 | 31693171 |
White blood cell count increased | 36.95 | 21.67 | 34 | 3937 | 38966 | 31654407 |
Toxicity to various agents | 35.21 | 21.67 | 73 | 3898 | 181414 | 31511959 |
Sciatic nerve neuropathy | 34.41 | 21.67 | 6 | 3965 | 51 | 31693322 |
Delusion | 33.31 | 21.67 | 20 | 3951 | 11977 | 31681396 |
Parkinsonism | 32.91 | 21.67 | 17 | 3954 | 7619 | 31685754 |
Psychiatric symptom | 32.22 | 21.67 | 13 | 3958 | 3298 | 31690075 |
Intentional overdose | 31.51 | 21.67 | 32 | 3939 | 41357 | 31652016 |
Sciatic nerve injury | 31.35 | 21.67 | 6 | 3965 | 89 | 31693284 |
Stupor | 30.83 | 21.67 | 12 | 3959 | 2772 | 31690601 |
Overdose | 29.35 | 21.67 | 44 | 3927 | 84620 | 31608753 |
Polydipsia | 28.04 | 21.67 | 12 | 3959 | 3528 | 31689845 |
Schizophrenia | 24.86 | 21.67 | 16 | 3955 | 10814 | 31682559 |
Neonatal asphyxia | 23.60 | 21.67 | 6 | 3965 | 342 | 31693031 |
Persecutory delusion | 22.08 | 21.67 | 9 | 3962 | 2343 | 31691030 |
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 |
---|---|---|---|---|---|---|
Neuroleptic malignant syndrome | 233.73 | 23.29 | 92 | 7449 | 25915 | 70894988 |
Altered state of consciousness | 162.30 | 23.29 | 81 | 7460 | 39941 | 70880962 |
Hepatic function abnormal | 139.59 | 23.29 | 88 | 7453 | 67908 | 70852995 |
Salivary hypersecretion | 138.48 | 23.29 | 52 | 7489 | 12873 | 70908030 |
Intentional overdose | 116.71 | 23.29 | 91 | 7450 | 98344 | 70822559 |
Pneumonia aspiration | 113.96 | 23.29 | 75 | 7466 | 62214 | 70858689 |
Suicide attempt | 108.59 | 23.29 | 80 | 7461 | 79430 | 70841473 |
Psychiatric symptom | 90.80 | 23.29 | 32 | 7509 | 6612 | 70914291 |
Overdose | 88.00 | 23.29 | 99 | 7442 | 169646 | 70751257 |
Rhabdomyolysis | 87.25 | 23.29 | 76 | 7465 | 95684 | 70825219 |
Blood creatine phosphokinase increased | 86.69 | 23.29 | 63 | 7478 | 61200 | 70859703 |
Parkinsonism | 80.25 | 23.29 | 37 | 7504 | 15288 | 70905615 |
White blood cell count increased | 71.09 | 23.29 | 59 | 7482 | 69514 | 70851389 |
Delusion | 69.50 | 23.29 | 36 | 7505 | 19129 | 70901774 |
Extrapyramidal disorder | 58.54 | 23.29 | 33 | 7508 | 20717 | 70900186 |
Water intoxication | 52.99 | 23.29 | 13 | 7528 | 756 | 70920147 |
Schizophrenia | 50.94 | 23.29 | 28 | 7513 | 16740 | 70904163 |
Asphyxia | 48.07 | 23.29 | 23 | 7518 | 10319 | 70910584 |
Toxicity to various agents | 46.70 | 23.29 | 116 | 7425 | 382056 | 70538847 |
Cerebral infarction | 40.87 | 23.29 | 35 | 7506 | 42974 | 70877929 |
Dyspnoea | 38.43 | 23.29 | 17 | 7524 | 770043 | 70150860 |
Pain | 36.21 | 23.29 | 11 | 7530 | 628805 | 70292098 |
Liver disorder | 35.44 | 23.29 | 38 | 7503 | 61530 | 70859373 |
Lymphocyte percentage increased | 35.25 | 23.29 | 9 | 7532 | 616 | 70920287 |
Stupor | 34.96 | 23.29 | 16 | 7525 | 6493 | 70914410 |
Pyrexia | 34.13 | 23.29 | 141 | 7400 | 606811 | 70314092 |
Depressed level of consciousness | 33.78 | 23.29 | 44 | 7497 | 87387 | 70833516 |
Lip erosion | 32.43 | 23.29 | 10 | 7531 | 1362 | 70919541 |
Electrocardiogram QT prolonged | 32.22 | 23.29 | 42 | 7499 | 83475 | 70837428 |
Sudden death | 30.53 | 23.29 | 22 | 7519 | 21042 | 70899861 |
Ileus paralytic | 30.44 | 23.29 | 16 | 7525 | 8745 | 70912158 |
Loss of consciousness | 30.14 | 23.29 | 57 | 7484 | 155659 | 70765244 |
Polydipsia | 29.92 | 23.29 | 14 | 7527 | 5974 | 70914929 |
Aspiration | 29.20 | 23.29 | 20 | 7521 | 17655 | 70903248 |
Hypothermia | 28.69 | 23.29 | 21 | 7520 | 20573 | 70900330 |
Peritoneal perforation | 28.64 | 23.29 | 6 | 7535 | 170 | 70920733 |
Hallucination, auditory | 28.54 | 23.29 | 20 | 7521 | 18308 | 70902595 |
Carcinoid tumour of the stomach | 28.06 | 23.29 | 6 | 7535 | 188 | 70920715 |
Neutrophil count increased | 27.91 | 23.29 | 23 | 7518 | 26772 | 70894131 |
Electrocardiogram J wave abnormal | 27.88 | 23.29 | 4 | 7537 | 9 | 70920894 |
Heat illness | 27.74 | 23.29 | 7 | 7534 | 457 | 70920446 |
Glucose tolerance impaired | 25.28 | 23.29 | 13 | 7528 | 6793 | 70914110 |
Somnolence | 24.75 | 23.29 | 64 | 7477 | 215542 | 70705361 |
Sciatic nerve neuropathy | 24.35 | 23.29 | 6 | 7535 | 355 | 70920548 |
Restlessness | 24.24 | 23.29 | 26 | 7515 | 42102 | 70878801 |
Persecutory delusion | 23.93 | 23.29 | 11 | 7530 | 4506 | 70916397 |
Fatigue | 23.61 | 23.29 | 32 | 7509 | 824287 | 70096616 |
Insomnia | 23.32 | 23.29 | 63 | 7478 | 217743 | 70703160 |
None
Source | Code | Description |
---|---|---|
ATC | N05CD03 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Benzodiazepine derivatives |
MeSH PA | D014151 | Anti-Anxiety Agents |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D002492 | Central Nervous System Depressants |
MeSH PA | D018682 | GABA Agents |
MeSH PA | D018757 | GABA Modulators |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D011619 | Psychotropic Drugs |
MeSH PA | D014149 | Tranquilizing Agents |
CHEBI has role | CHEBI:35474 | anti-anxiety agents |
CHEBI has role | CHEBI:35717 | hypnotics |
CHEBI has role | CHEBI:91016 | GABAA receptor agonists |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 1.89 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Gamma-aminobutyric acid receptor subunit alpha-1 | Ion channel | ALLOSTERIC MODULATOR | Ki | 8.28 | IUPHAR | IUPHAR | |||
Gamma-aminobutyric acid receptor subunit alpha-2 | Ion channel | ALLOSTERIC MODULATOR | Ki | 8.28 | IUPHAR | IUPHAR | |||
Gamma-aminobutyric acid receptor subunit alpha-3 | Ion channel | ALLOSTERIC MODULATOR | Ki | 7.80 | IUPHAR | IUPHAR | |||
Gamma-aminobutyric acid receptor subunit alpha-5 | Ion channel | ALLOSTERIC MODULATOR | Ki | 8.26 | IUPHAR | IUPHAR | |||
GABA-A receptor alpha-1/beta-2/gamma-2 | Ion channel | Ki | 8.70 | WOMBAT-PK | |||||
GABA-A receptor alpha-2/beta-3/gamma-2 | Ion channel | Ki | 8.70 | WOMBAT-PK | |||||
GABA-A receptor alpha-3/beta-3/gamma-2 | Ion channel | Ki | 8.35 | WOMBAT-PK | |||||
GABA-A receptor alpha-5/beta-3/gamma-2 | Ion channel | Ki | 8.84 | WOMBAT-PK | |||||
GABA-A receptor alpha-1/beta-2/gamma-3 | Ion channel | Ki | 7.46 | WOMBAT-PK | |||||
GABA-A receptor alpha-1/beta-3/gamma-2 | Ion channel | Ki | 8.47 | WOMBAT-PK | |||||
GABA A receptor alpha-3/beta-2/gamma-2 | Ion channel | Ki | 8.82 | WOMBAT-PK | |||||
GABA A receptor alpha-3/beta-2/gamma-3 | Ion channel | Ki | 7.50 | WOMBAT-PK | |||||
GABA A receptor alpha-5/beta-3/gamma-3 | Ion channel | Ki | 8.42 | WOMBAT-PK | |||||
GABA A receptor alpha-5/beta-2/gamma-2 | Ion channel | Ki | 9 | WOMBAT-PK | |||||
GABA A receptor alpha-5/beta-2/gamma-3 | Ion channel | Ki | 8.42 | WOMBAT-PK | |||||
GABA-A receptor; anion channel | Ion channel | IC50 | 8.82 | CHEMBL |
ID | Source |
---|---|
N0000166924 | NUI |
D01230 | KEGG_DRUG |
C0016296 | UMLSCUI |
CHEBI:31622 | CHEBI |
CHEMBL13280 | ChEMBL_ID |
DB01544 | DRUGBANK_ID |
D005445 | MESH_DESCRIPTOR_UI |
3380 | PUBCHEM_CID |
4193 | IUPHAR_LIGAND_ID |
2951 | INN_ID |
620X0222FQ | UNII |
4460 | RXNORM |
004091 | NDDF |
387573007 | SNOMEDCT_US |
96237009 | SNOMEDCT_US |
None