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| Stem definition | Drug id | CAS RN |
|---|---|---|
| steroids, androgens | 1879 | 434-22-0 |
| Dose | Unit | Route |
|---|---|---|
| 2 | mg | P |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 2 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| S (Water solubility) | 3.09 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,EIF2AK3,ERBB2,GRK2,ITK,NTRK2,PDK1,PDK2,PDK4,PRKDC | 14 | |||
| kinase-selectivity-class | EIF2AK3,GRK2 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| 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 |
|---|---|---|---|---|---|---|
| Drug abuse | 194.70 | 103.03 | 67 | 526 | 104704 | 42516038 |
| 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 |
|---|---|---|---|---|---|---|
| Drug abuse | 223.08 | 117.99 | 67 | 524 | 177344 | 110411364 |
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| Source | Code | Description |
|---|---|---|
| ATC | A14AB01 | ALIMENTARY TRACT AND METABOLISM ANABOLIC AGENTS FOR SYSTEMIC USE ANABOLIC STEROIDS Estren derivatives |
| ATC | S01XA11 | SENSORY ORGANS OPHTHALMOLOGICALS OTHER OPHTHALMOLOGICALS Other ophthalmologicals |
| MeSH PA | D000728 | Androgens |
| MeSH PA | D006728 | Hormones |
| MeSH PA | D045930 | Anabolic Agents |
| FDA EPC | N0000175824 | Androgen |
| CHEBI has role | CHEBI:75835 | anti-anaemic agent |
| CHEBI has role | CHEBI:77746 | human metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Anemia of chronic renal failure | indication | 49708008 | |
| Congenital hypoplastic anemia | off-label use | 88854002 | DOID:1339 |
| Hb SS disease | off-label use | 127040003 | DOID:10923 |
| Hypercholesterolemia | contraindication | 13644009 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Obstruction of bile duct | contraindication | 30144000 | |
| Renal failure syndrome | contraindication | 42399005 | DOID:1074 |
| Body fluid retention | contraindication | 43498006 | |
| Humoral hypercalcemia of malignancy | contraindication | 47709007 | |
| Nephrotic syndrome | contraindication | 52254009 | DOID:1184 |
| Heart disease | contraindication | 56265001 | DOID:114 |
| Hypercalcemia | contraindication | 66931009 | DOID:12678 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Neoplasm of prostate | contraindication | 126906006 | DOID:10283 |
| Decompensated cardiac failure | contraindication | 195111005 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Pregnancy, function | contraindication | 289908002 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Breast Carcinoma in Males | contraindication |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Androgen receptor | Nuclear hormone receptor | AGONIST | UNKNOWN | IUPHAR | |||||
| Corticosteroid-binding globulin | Secreted | Ki | 6.14 | CHEMBL | |||||
| Sex hormone-binding globulin | Secreted | Kd | 6.30 | CHEMBL | |||||
| Solute carrier family 22 member 1 | Transporter | IC50 | 4.45 | CHEMBL | |||||
| Androgen receptor | Transcription factor | Ki | 8.68 | DRUG MATRIX | |||||
| Progesterone receptor | Transcription factor | Ki | 7.65 | DRUG MATRIX |
| ID | Source |
|---|---|
| 4019854 | VUID |
| N0000147940 | NUI |
| D08250 | KEGG_DRUG |
| 4019854 | VANDF |
| C0027368 | UMLSCUI |
| CHEBI:7466 | CHEBI |
| 6VW | PDB_CHEM_ID |
| CHEMBL2104906 | ChEMBL_ID |
| CHEMBL757 | ChEMBL_ID |
| DB13169 | DRUGBANK_ID |
| D009277 | MESH_DESCRIPTOR_UI |
| 9904 | PUBCHEM_CID |
| 6949 | IUPHAR_LIGAND_ID |
| 295 | INN_ID |
| 6PG9VR430D | UNII |
| 7244 | RXNORM |
| 2095 | MMSL |
| d00568 | MMSL |
| 001259 | NDDF |
| 126171003 | SNOMEDCT_US |
| 86162003 | SNOMEDCT_US |
| 6PG9VR430D | INXIGHT DRUGS |
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