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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antiandrogens | 766 | 427-51-0 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
| 0.10 | g | P |
| 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) | 1 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 10.28 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 100 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1974 | 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 |
|---|---|---|---|---|---|---|
| Meningioma | 1028.14 | 56.50 | 148 | 863 | 4923 | 90622513 |
| 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 |
|---|---|---|---|---|---|---|
| Meningioma | 564.60 | 41.67 | 82 | 721 | 1645 | 42618887 |
| Meningioma benign | 46.46 | 41.67 | 6 | 797 | 45 | 42620487 |
| 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 |
|---|---|---|---|---|---|---|
| Meningioma | 1422.49 | 38.67 | 208 | 1498 | 5457 | 110582136 |
| Meningioma benign | 58.72 | 38.67 | 9 | 1697 | 307 | 110587286 |
| Frontotemporal dementia | 45.09 | 38.67 | 8 | 1698 | 675 | 110586918 |
| Prosopagnosia | 43.61 | 38.67 | 6 | 1700 | 94 | 110587499 |
| Hepatitis fulminant | 42.29 | 38.67 | 12 | 1694 | 8548 | 110579045 |
| Aphasia | 39.74 | 38.67 | 19 | 1687 | 58978 | 110528615 |
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| Source | Code | Description |
|---|---|---|
| ATC | G03HA01 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM ANTIANDROGENS Antiandrogens, plain |
| ATC | G03HB01 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM ANTIANDROGENS Antiandrogens and estrogens |
| MeSH PA | D000726 | Androgen Antagonists |
| MeSH PA | D006727 | Hormone Antagonists |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D003272 | Contraceptive Agents, Male |
| MeSH PA | D012102 | Reproductive Control Agents |
| CHEBI has role | CHEBI:35497 | androgen antagonist |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:59826 | progestin |
| CHEBI has role | CHEBI:176497 | geroprotector |
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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 | ANTAGONIST | IC50 | 7.43 | WOMBAT-PK | IUPHAR | |||
| Mu-type opioid receptor | GPCR | Ki | 6.05 | DRUG MATRIX | |||||
| Glucocorticoid receptor | Nuclear hormone receptor | IC50 | 7.80 | WOMBAT-PK | |||||
| Progesterone receptor | Nuclear hormone receptor | IC50 | 9.68 | WOMBAT-PK | |||||
| Androgen receptor | Transcription factor | IC50 | 4.74 | CHEMBL | |||||
| Progesterone receptor | Transcription factor | Ki | 8.32 | DRUG MATRIX | |||||
| Adenosine receptor A1 | GPCR | IC50 | 8.30 | CHEMBL |
| ID | Source |
|---|---|
| N0000167457 | NUI |
| D01368 | KEGG_DRUG |
| 22054 | RXNORM |
| C0056855 | UMLSCUI |
| CHEBI:50743 | CHEBI |
| CA4 | PDB_CHEM_ID |
| CHEMBL139835 | ChEMBL_ID |
| D017373 | MESH_DESCRIPTOR_UI |
| DB04839 | DRUGBANK_ID |
| 9880 | PUBCHEM_CID |
| 2865 | IUPHAR_LIGAND_ID |
| 4KM2BN5JHF | UNII |
| 003475 | NDDF |
| 004825 | NDDF |
| 126119006 | SNOMEDCT_US |
| 126120000 | SNOMEDCT_US |
| 96370002 | SNOMEDCT_US |
| C0010621 | UMLSCUI |
| 2098-66-0 | SECONDARY_CAS_RN |
| 5284537 | PUBCHEM_CID |
| 2050 | INN_ID |
| D003534 | MESH_DESCRIPTOR_UI |
| E61Q31EK2F | UNII |
| CHEBI:50742 | CHEBI |
| 4KM2BN5JHF | INXIGHT DRUGS |
| E61Q31EK2F | INXIGHT DRUGS |
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