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| Stem definition | Drug id | CAS RN |
|---|---|---|
| steroids, progestogens | 1095 | 297-76-7 |
None
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.04 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| S (Water solubility) | 0.00 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,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,STK33,TEK,TGFBR1,ZAP70 | 25 | |||
| kinase-selectivity-class | GRK2 | 1 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| March 23, 1966 | FDA |
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| Source | Code | Description |
|---|---|---|
| ATC | G03AA01 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE Progestogens and estrogens, fixed combinations |
| ATC | G03DC06 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM PROGESTOGENS Estren derivatives |
| ATC | G03FA06 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM PROGESTOGENS AND ESTROGENS IN COMBINATION Progestogens and estrogens, fixed combinations |
| FDA CS | M0447349 | Progesterone Congeners |
| MeSH PA | D000080066 | Contraceptive Agents, Hormonal |
| MeSH PA | D003271 | Contraceptive Agents, Female |
| MeSH PA | D003278 | Contraceptives, Oral, Hormonal |
| MeSH PA | D003280 | Contraceptives, Oral, Synthetic |
| MeSH PA | D012102 | Reproductive Control Agents |
| FDA EPC | N0000175602 | Progestin |
| CHEBI has role | CHEBI:49323 | contraceptive drug |
| CHEBI has role | CHEBI:49326 | synthetic oral contraceptive |
| CHEBI has role | CHEBI:50739 | estrogen receptor modulator |
| CHEBI has role | CHEBI:59826 | progestin |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Contraception | indication | 13197004 | |
| Polycystic ovaries | off-label use | 69878008 | |
| Heart valve disorder | contraindication | 368009 | DOID:4079 |
| Hypercholesterolemia | contraindication | 13644009 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Depressive disorder | contraindication | 35489007 | |
| Migraine | contraindication | 37796009 | DOID:6364 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
| Body fluid retention | contraindication | 43498006 | |
| Thrombosis of retinal vein | contraindication | 46085004 | |
| Hyperlipidemia | contraindication | 55822004 | DOID:1168 |
| Benign mammary dysplasia | contraindication | 57993004 | |
| Obstructive hyperbilirubinemia | contraindication | 59848001 | |
| Thrombophlebitis | contraindication | 64156001 | DOID:3875 |
| Intermenstrual bleeding - irregular | contraindication | 64996003 | |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Hyperglycemia | contraindication | 80394007 | DOID:4195 |
| Malignant neoplasm of liver | contraindication | 93870000 | DOID:3571 |
| Deep venous thrombosis | contraindication | 128053003 | |
| Liver function tests abnormal | contraindication | 166603001 | |
| Angina pectoris | contraindication | 194828000 | |
| Cerebrovascular accident | contraindication | 230690007 | |
| Pulmonary thromboembolism | contraindication | 233935004 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Cholestasis of pregnancy | contraindication | 235888006 | |
| Endometrial carcinoma | contraindication | 254878006 | DOID:2871 |
| Pregnancy, function | contraindication | 289908002 | |
| Hypertriglyceridemia | contraindication | 302870006 | |
| Malignant tumor of cervix | contraindication | 363354003 | DOID:4362 |
| Thromboembolic disorder | contraindication | 371039008 | |
| Cardiovascular event risk | contraindication | 395112001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Obesity | contraindication | 414916001 | DOID:9970 |
| Estrogen receptor positive tumor | contraindication | 416053008 | |
| Porphyria | contraindication | 418470004 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Carcinoma of female breast | contraindication | 447782002 | |
| Smokes tobacco daily | contraindication | 449868002 | |
| Nonspecific Abnormal Papanicolaou Smear of Cervix | contraindication | ||
| Major Surgery with Prolonged Post-Operative Immobilization | contraindication |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Progesterone receptor | Nuclear hormone receptor | AGONIST | WOMBAT-PK | CHEMBL | |||||
| Estrogen receptor | Nuclear hormone receptor | WOMBAT-PK | |||||||
| Amine oxidase [flavin-containing] A | Enzyme | IC50 | 5.37 | DRUG MATRIX | |||||
| Androgen receptor | Transcription factor | Ki | 5.69 | DRUG MATRIX | |||||
| Progesterone receptor | Transcription factor | Ki | 7.68 | DRUG MATRIX |
| ID | Source |
|---|---|
| D01294 | KEGG_DRUG |
| 1231-93-2 | SECONDARY_CAS_RN |
| 4018121 | VANDF |
| CHEBI:50785 | CHEBI |
| CHEMBL1200624 | ChEMBL_ID |
| CHEMBL1201406 | ChEMBL_ID |
| C014546 | MESH_SUPPLEMENTAL_RECORD_UI |
| DB13866 | DRUGBANK_ID |
| DB00823 | DRUGBANK_ID |
| 24591 | RXNORM |
| 4704 | MMSL |
| d03073 | MMSL |
| 001300 | NDDF |
| 004939 | NDDF |
| 126105006 | SNOMEDCT_US |
| 420879007 | SNOMEDCT_US |
| 423440008 | SNOMEDCT_US |
| C0059849 | UMLSCUI |
| 14687 | PUBCHEM_CID |
| 7072 | IUPHAR_LIGAND_ID |
| 1336 | INN_ID |
| D005040 | MESH_DESCRIPTOR_UI |
| 9E01C36A9S | UNII |
| 9E01C36A9S | INXIGHT DRUGS |
None