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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 826 | 1177-87-3 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.08 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 81 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.072 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.945 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 46.881 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 15.066 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 36.310 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 44.500 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 4.437 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 12.677 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 31.261 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 25.130 | % | Moderate | 0.65 |
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 11.350 | Moderate | 0.79 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 5.458 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 52.966 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 30.580 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 11.588 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.79 | |
| pppb | Pig plasma protein binding (% unbound) | 36.420 | % | Moderate | 0.65 |
| rat-kpuu-brain | Rat brain Kpuu | 0.080 | % | Moderate | 0.79 |
| rh-clint | Rat hepatocyte intrinsic clearance | 76.560 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 76.180 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 23.440 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 368.978 | uM | Moderate | 0.65 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 6, 1973 | FDA | MERCK |
| 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 |
|---|---|---|---|---|---|---|
| Neutrophil count decreased | 482.99 | 29.67 | 175 | 5198 | 71357 | 90551717 |
| Platelet count decreased | 442.69 | 29.67 | 197 | 5176 | 136772 | 90486302 |
| White blood cell count decreased | 190.35 | 29.67 | 120 | 5253 | 166989 | 90456085 |
| Lymphocyte count decreased | 185.80 | 29.67 | 72 | 5301 | 34978 | 90588096 |
| Anaemia | 168.00 | 29.67 | 150 | 5223 | 352652 | 90270422 |
| Fracture | 133.68 | 29.67 | 50 | 5323 | 22026 | 90601048 |
| Plasma cell myeloma | 116.34 | 29.67 | 54 | 5319 | 40774 | 90582300 |
| Neuropathy peripheral | 74.47 | 29.67 | 63 | 5310 | 136907 | 90486167 |
| Tumour lysis syndrome | 70.19 | 29.67 | 26 | 5347 | 11126 | 90611948 |
| Thrombocytopenia | 69.28 | 29.67 | 73 | 5300 | 208652 | 90414422 |
| Febrile neutropenia | 68.51 | 29.67 | 64 | 5309 | 158285 | 90464789 |
| Dementia | 63.12 | 29.67 | 30 | 5343 | 23831 | 90599243 |
| Neutropenia | 61.39 | 29.67 | 71 | 5302 | 224833 | 90398241 |
| Myelosuppression | 57.12 | 29.67 | 37 | 5336 | 53554 | 90569520 |
| Ileus | 53.77 | 29.67 | 24 | 5349 | 16522 | 90606552 |
| Plasma cell myeloma recurrent | 50.77 | 29.67 | 16 | 5357 | 4212 | 90618862 |
| Osteonecrosis of jaw | 49.20 | 29.67 | 30 | 5343 | 39073 | 90584001 |
| Renal impairment | 48.25 | 29.67 | 44 | 5329 | 105377 | 90517697 |
| Vitiligo | 47.51 | 29.67 | 13 | 5360 | 2097 | 90620977 |
| Upper respiratory tract inflammation | 44.47 | 29.67 | 13 | 5360 | 2659 | 90620415 |
| Pyrexia | 39.14 | 29.67 | 106 | 5267 | 660379 | 89962695 |
| Decreased appetite | 36.06 | 29.67 | 73 | 5300 | 376467 | 90246607 |
| Drug ineffective | 35.65 | 29.67 | 19 | 5354 | 1384279 | 89238795 |
| Pneumonia | 34.43 | 29.67 | 99 | 5274 | 637960 | 89985114 |
| Cardiac failure | 33.97 | 29.67 | 37 | 5336 | 109459 | 90513615 |
| Marasmus | 32.85 | 29.67 | 8 | 5365 | 815 | 90622259 |
| Renal disorder | 32.81 | 29.67 | 23 | 5350 | 37836 | 90585238 |
| Cytopenia | 31.65 | 29.67 | 17 | 5356 | 17432 | 90605642 |
| Bone marrow failure | 31.29 | 29.67 | 21 | 5352 | 32200 | 90590874 |
| Cardiac amyloidosis | 31.02 | 29.67 | 8 | 5365 | 1028 | 90622046 |
| Plasma cell leukaemia | 30.14 | 29.67 | 8 | 5365 | 1150 | 90621924 |
| 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 |
|---|---|---|---|---|---|---|
| Platelet count decreased | 253.37 | 25.39 | 183 | 5642 | 138398 | 42477112 |
| Neutrophil count decreased | 223.83 | 25.39 | 127 | 5698 | 63288 | 42552222 |
| Lymphocyte count decreased | 96.00 | 25.39 | 55 | 5770 | 27754 | 42587756 |
| Pneumonia | 94.47 | 25.39 | 189 | 5636 | 421960 | 42193550 |
| White blood cell count decreased | 89.93 | 25.39 | 92 | 5733 | 110304 | 42505206 |
| Anaemia | 57.07 | 25.39 | 121 | 5704 | 280157 | 42335353 |
| Plasma cell myeloma | 56.62 | 25.39 | 49 | 5776 | 47529 | 42567981 |
| Dementia | 50.00 | 25.39 | 30 | 5795 | 16450 | 42599060 |
| Nephritis allergic | 46.16 | 25.39 | 12 | 5813 | 684 | 42614826 |
| Tumour lysis syndrome | 44.11 | 25.39 | 31 | 5794 | 22200 | 42593310 |
| Osteonecrosis of jaw | 43.57 | 25.39 | 29 | 5796 | 19020 | 42596490 |
| Conjunctival irritation | 42.68 | 25.39 | 8 | 5817 | 96 | 42615414 |
| Neutropenia | 41.54 | 25.39 | 87 | 5738 | 199344 | 42416166 |
| Bone marrow failure | 41.22 | 25.39 | 35 | 5790 | 33058 | 42582452 |
| Cardiac failure | 35.38 | 25.39 | 57 | 5768 | 106799 | 42508711 |
| Myelosuppression | 35.19 | 25.39 | 35 | 5790 | 40426 | 42575084 |
| Upper respiratory tract inflammation | 34.30 | 25.39 | 12 | 5813 | 1884 | 42613626 |
| Genital erythema | 34.10 | 25.39 | 8 | 5817 | 297 | 42615213 |
| Thrombocytopenia | 33.92 | 25.39 | 78 | 5747 | 190201 | 42425309 |
| Hepatitis B DNA increased | 33.54 | 25.39 | 9 | 5816 | 580 | 42614930 |
| Drug reaction with eosinophilia and systemic symptoms | 32.24 | 25.39 | 34 | 5791 | 42041 | 42573469 |
| Liver disorder | 32.11 | 25.39 | 33 | 5792 | 39611 | 42575899 |
| Mechanical ventilation complication | 31.95 | 25.39 | 9 | 5816 | 695 | 42614815 |
| Meningioma | 31.51 | 25.39 | 11 | 5814 | 1716 | 42613794 |
| Renal disorder | 30.77 | 25.39 | 28 | 5797 | 28952 | 42586558 |
| Interstitial lung disease | 30.37 | 25.39 | 45 | 5780 | 78417 | 42537093 |
| Fatigue | 30.17 | 25.39 | 11 | 5814 | 435630 | 42179880 |
| Plasmacytoma | 27.67 | 25.39 | 13 | 5812 | 4351 | 42611159 |
| Marasmus | 25.54 | 25.39 | 8 | 5817 | 891 | 42614619 |
| 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 |
|---|---|---|---|---|---|---|
| Platelet count decreased | 700.20 | 23.27 | 381 | 11193 | 230062 | 110347663 |
| Neutrophil count decreased | 672.31 | 23.27 | 302 | 11272 | 120639 | 110457086 |
| White blood cell count decreased | 268.77 | 23.27 | 209 | 11365 | 229181 | 110348544 |
| Lymphocyte count decreased | 258.32 | 23.27 | 124 | 11450 | 57119 | 110520606 |
| Anaemia | 204.84 | 23.27 | 268 | 11306 | 546818 | 110030907 |
| Plasma cell myeloma | 181.71 | 23.27 | 101 | 11473 | 62835 | 110514890 |
| Fracture | 137.53 | 23.27 | 62 | 11512 | 24726 | 110552999 |
| Pneumonia | 127.97 | 23.27 | 282 | 11292 | 876432 | 109701293 |
| Dementia | 108.59 | 23.27 | 57 | 11517 | 31616 | 110546109 |
| Tumour lysis syndrome | 107.22 | 23.27 | 56 | 11518 | 30745 | 110546980 |
| Neuropathy peripheral | 101.90 | 23.27 | 109 | 11465 | 179168 | 110398557 |
| Neutropenia | 97.85 | 23.27 | 155 | 11419 | 374465 | 110203260 |
| Thrombocytopenia | 93.38 | 23.27 | 146 | 11428 | 348739 | 110228986 |
| Osteonecrosis of jaw | 89.01 | 23.27 | 58 | 11516 | 47959 | 110529766 |
| Myelosuppression | 83.09 | 23.27 | 73 | 11501 | 94267 | 110483458 |
| Upper respiratory tract inflammation | 75.51 | 23.27 | 25 | 11549 | 4346 | 110573379 |
| Bone marrow failure | 74.74 | 23.27 | 56 | 11518 | 57792 | 110519933 |
| Renal disorder | 70.92 | 23.27 | 51 | 11523 | 49428 | 110528297 |
| Cardiac failure | 69.95 | 23.27 | 92 | 11482 | 187534 | 110390191 |
| Plasma cell myeloma recurrent | 63.86 | 23.27 | 25 | 11549 | 7017 | 110570708 |
| Plasmacytoma | 59.70 | 23.27 | 22 | 11552 | 5240 | 110572485 |
| Pyrexia | 57.51 | 23.27 | 215 | 11359 | 898050 | 109679675 |
| Cytopenia | 57.33 | 23.27 | 37 | 11537 | 30079 | 110547646 |
| Marasmus | 56.26 | 23.27 | 16 | 11558 | 1675 | 110576050 |
| Febrile neutropenia | 55.34 | 23.27 | 110 | 11464 | 316657 | 110261068 |
| Fatigue | 51.48 | 23.27 | 32 | 11542 | 1215926 | 109361799 |
| Ileus | 49.44 | 23.27 | 34 | 11540 | 30695 | 110547030 |
| Hepatic function abnormal | 48.41 | 23.27 | 53 | 11521 | 89242 | 110488483 |
| Cardiac amyloidosis | 48.10 | 23.27 | 16 | 11558 | 2821 | 110574904 |
| Liver disorder | 45.80 | 23.27 | 65 | 11509 | 142178 | 110435547 |
| Nephritis allergic | 44.11 | 23.27 | 12 | 11562 | 1067 | 110576658 |
| Conjunctival irritation | 42.21 | 23.27 | 8 | 11566 | 136 | 110577589 |
| Hepatitis B DNA increased | 42.02 | 23.27 | 11 | 11563 | 844 | 110576881 |
| Cerebral infarction | 41.44 | 23.27 | 38 | 11536 | 51800 | 110525925 |
| Renal impairment | 41.08 | 23.27 | 72 | 11502 | 188373 | 110389352 |
| Drug ineffective | 41.04 | 23.27 | 60 | 11514 | 1520480 | 109057245 |
| Sepsis | 40.50 | 23.27 | 99 | 11475 | 327247 | 110250478 |
| Headache | 40.47 | 23.27 | 21 | 11553 | 882356 | 109695369 |
| Plasma cell leukaemia | 40.34 | 23.27 | 13 | 11561 | 2075 | 110575650 |
| Rash | 39.42 | 23.27 | 180 | 11394 | 820784 | 109756941 |
| Pain | 39.17 | 23.27 | 26 | 11548 | 954929 | 109622796 |
| Hyperuricaemia | 38.32 | 23.27 | 22 | 11552 | 14509 | 110563216 |
| Drug reaction with eosinophilia and systemic symptoms | 38.16 | 23.27 | 45 | 11529 | 82050 | 110495675 |
| Interstitial lung disease | 36.74 | 23.27 | 58 | 11516 | 139276 | 110438449 |
| Disseminated intravascular coagulation | 36.43 | 23.27 | 32 | 11542 | 41254 | 110536471 |
| Spinal compression fracture | 36.00 | 23.27 | 23 | 11551 | 18369 | 110559356 |
| Vitiligo | 35.65 | 23.27 | 13 | 11561 | 3004 | 110574721 |
| Genital erythema | 35.13 | 23.27 | 8 | 11566 | 342 | 110577383 |
| Dyspnoea | 34.64 | 23.27 | 39 | 11535 | 1106833 | 109470892 |
| Mechanical ventilation complication | 33.51 | 23.27 | 9 | 11565 | 762 | 110576963 |
| Heat illness | 33.27 | 23.27 | 9 | 11565 | 783 | 110576942 |
| Hypercalcaemia | 33.07 | 23.27 | 32 | 11542 | 46625 | 110531100 |
| Myelodysplastic syndrome | 32.96 | 23.27 | 29 | 11545 | 37455 | 110540270 |
| Hypoalbuminaemia | 32.92 | 23.27 | 26 | 11548 | 28948 | 110548777 |
| Hypokalaemia | 32.59 | 23.27 | 64 | 11510 | 182384 | 110395341 |
| Arthralgia | 32.25 | 23.27 | 21 | 11553 | 779611 | 109798114 |
| Decreased appetite | 32.08 | 23.27 | 116 | 11458 | 475730 | 110101995 |
| Constipation | 31.98 | 23.27 | 96 | 11478 | 357690 | 110220035 |
| Haemoglobin decreased | 31.57 | 23.27 | 76 | 11498 | 248651 | 110329074 |
| Peripheral swelling | 31.42 | 23.27 | 3 | 11571 | 404031 | 110173694 |
| Colon cancer | 30.79 | 23.27 | 20 | 11554 | 16423 | 110561302 |
| Delirium | 29.94 | 23.27 | 52 | 11522 | 134973 | 110442752 |
| Toxicity to various agents | 29.57 | 23.27 | 7 | 11567 | 480548 | 110097177 |
| Cytokine release syndrome | 28.55 | 23.27 | 36 | 11538 | 70270 | 110507455 |
| Pain in extremity | 28.25 | 23.27 | 8 | 11566 | 487110 | 110090615 |
| Blood creatinine increased | 27.77 | 23.27 | 60 | 11514 | 182829 | 110394896 |
| Meningioma | 27.74 | 23.27 | 13 | 11561 | 5652 | 110572073 |
| Hyperglycaemia | 27.54 | 23.27 | 39 | 11535 | 85051 | 110492674 |
| Cataract | 26.57 | 23.27 | 37 | 11537 | 79448 | 110498277 |
| Swelling | 26.27 | 23.27 | 3 | 11571 | 351038 | 110226687 |
| Bronchopulmonary aspergillosis | 26.05 | 23.27 | 23 | 11551 | 29840 | 110547885 |
| Pathological fracture | 25.94 | 23.27 | 16 | 11558 | 12016 | 110565709 |
| Alopecia | 25.20 | 23.27 | 4 | 11570 | 364749 | 110212976 |
| Pneumonia bacterial | 24.47 | 23.27 | 21 | 11553 | 26240 | 110551485 |
| Amyloidosis | 24.36 | 23.27 | 10 | 11564 | 3171 | 110574554 |
| Compression fracture | 24.31 | 23.27 | 14 | 11560 | 9285 | 110568440 |
| Gamma-glutamyltransferase increased | 24.27 | 23.27 | 31 | 11543 | 61278 | 110516447 |
| Enterocolitis | 23.70 | 23.27 | 18 | 11556 | 18931 | 110558794 |
| Death | 23.58 | 23.27 | 139 | 11435 | 698730 | 109878995 |
None
| Source | Code | Description |
|---|---|---|
| FDA MoA | N0000175450 | Corticosteroid Hormone Receptor Agonists |
| FDA EPC | N0000175576 | Corticosteroid |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000932 | Antiemetics |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D005765 | Gastrointestinal Agents |
| MeSH PA | D005938 | Glucocorticoids |
| MeSH PA | D006728 | Hormones |
| MeSH PA | D018931 | Antineoplastic Agents, Hormonal |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:33231 | antitubercular agent |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:35442 | antiparasitic agent |
| CHEBI has role | CHEBI:35472 | anti-inflammatory drug |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:35703 | xenobiotic |
| CHEBI has role | CHEBI:35705 | immunosuppressive agent |
| CHEBI has role | CHEBI:35718 | antifungal agent |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:35845 | gout suppressant |
| CHEBI has role | CHEBI:37962 | adrenergic agent |
| CHEBI has role | CHEBI:38068 | antimalarial |
| CHEBI has role | CHEBI:39456 | antiglaucoma drug |
| CHEBI has role | CHEBI:49201 | anti-ulcer drug |
| CHEBI has role | CHEBI:50177 | dermatologic drug |
| CHEBI has role | CHEBI:50671 | antithyroid drug |
| CHEBI has role | CHEBI:50748 | antipsoriatic |
| CHEBI has role | CHEBI:50857 | anti-allergic agent |
| CHEBI has role | CHEBI:50919 | antiemetic |
| CHEBI has role | CHEBI:55324 | gastrointestinal drug |
| CHEBI has role | CHEBI:62868 | hepatoprotective agent |
| CHEBI has role | CHEBI:65023 | anti-asthmatic agent |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:73336 | vulnerary |
| CHEBI has role | CHEBI:75835 | anti-anaemic agent |
| CHEBI has role | CHEBI:77715 | nasal decongestant |
| CHEBI has role | CHEBI:78298 | environmental contaminant |
| CHEBI has role | CHEBI:231911 | renoprotective agent |
| CHEBI has role | CHEBI:233423 | antifibrotic agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Multiple myeloma | indication | 109989006 | DOID:9538 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.06 | acidic |
| pKa2 | 13.41 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Nuclear hormone receptor | AGONIST | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4017924 | VUID |
| N0000179099 | NUI |
| D02174 | KEGG_DRUG |
| 55812-90-3 | SECONDARY_CAS_RN |
| 22690 | RXNORM |
| 4017922 | VANDF |
| 4017924 | VANDF |
| C0057598 | UMLSCUI |
| CHEBI:4463 | CHEBI |
| DEX | PDB_CHEM_ID |
| CHEMBL1530428 | ChEMBL_ID |
| DB14649 | DRUGBANK_ID |
| C018038 | MESH_SUPPLEMENTAL_RECORD_UI |
| DWN2WN457X | UNII |
| 236702 | PUBCHEM_CID |
| 4552 | MMSL |
| 4553 | MMSL |
| 6112 | MMSL |
| 6848 | MMSL |
| d00206 | MMSL |
| 002174 | NDDF |
| 002175 | NDDF |
| 109070008 | SNOMEDCT_US |
| 372584003 | SNOMEDCT_US |
| 7561000 | SNOMEDCT_US |
| C0011777 | UMLSCUI |
| DB01234 | DRUGBANK_ID |
| 5743 | PUBCHEM_CID |
| 816 | INN_ID |
| D003907 | MESH_DESCRIPTOR_UI |
| CHEBI:41879 | CHEBI |
| DWN2WN457X | INXIGHT DRUGS |
None