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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 610 | 569-57-3 |
| Dose | Unit | Route |
|---|---|---|
| 24 | mg | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 43 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,BRAF,DDR1,DYRK1B,ERBB2,GRK2,MAP2K6,MAPK7,PDK4,SIK2 | 12 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | SANOFI AVENTIS US |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | G03CA06 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM ESTROGENS Natural and semisynthetic estrogens, plain |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:50739 | estrogen receptor modulator |
| CHEBI has role | CHEBI:76988 | xenoestrogen |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D004967 | Estrogens |
| MeSH PA | D004968 | Estrogens, Non-Steroidal |
| MeSH PA | D006728 | Hormones |
| MeSH PA | D018931 | Antineoplastic Agents, Hormonal |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hyperlipoproteinemia | contraindication | 3744001 | DOID:1168 |
| Hypocalcemia | contraindication | 5291005 | |
| Hypercholesterolemia | contraindication | 13644009 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Chloasma | contraindication | 36209000 | |
| Migraine | contraindication | 37796009 | DOID:6364 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
| Hypothyroidism | contraindication | 40930008 | DOID:1459 |
| Body fluid retention | contraindication | 43498006 | |
| Thrombosis of retinal vein | contraindication | 46085004 | |
| Humoral hypercalcemia of malignancy | contraindication | 47709007 | |
| Dementia | contraindication | 52448006 | |
| Hepatic porphyria | contraindication | 55056006 | DOID:3133 |
| Systemic lupus erythematosus | contraindication | 55464009 | DOID:9074 |
| Thrombophlebitis | contraindication | 64156001 | DOID:3875 |
| Intermenstrual bleeding - irregular | contraindication | 64996003 | |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Breast lump | contraindication | 89164003 | |
| Uterine leiomyoma | contraindication | 95315005 | DOID:13223 |
| Deep venous thrombosis | contraindication | 128053003 | |
| Endometriosis | contraindication | 129103003 | |
| Mammography abnormal | contraindication | 168750009 | |
| Asthma | contraindication | 195967001 | DOID:2841 |
| Cerebrovascular accident | contraindication | 230690007 | |
| Pulmonary thromboembolism | contraindication | 233935004 | |
| Thrombophilia | contraindication | 234467004 | DOID:2452 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Endometrial carcinoma | contraindication | 254878006 | DOID:2871 |
| Chorea | contraindication | 271700006 | |
| Pregnancy, function | contraindication | 289908002 | |
| Hypertriglyceridemia | contraindication | 302870006 | |
| Functional visual loss | contraindication | 313165001 | |
| Malignant tumor of ovary | contraindication | 363443007 | DOID:2394 |
| 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 | |
| Family history of malignant neoplasm of breast | contraindication | 429740004 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Carcinoma of female breast | contraindication | 447782002 | |
| Smokes tobacco daily | contraindication | 449868002 |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | Nuclear hormone receptor | MODULATOR | CHEMBL | CHEMBL | |||||
| Estrogen receptor | Nuclear hormone receptor | WOMBAT-PK |
| ID | Source |
|---|---|
| 4018622 | VUID |
| N0000146935 | NUI |
| D00269 | KEGG_DRUG |
| 2397 | RXNORM |
| C0008275 | UMLSCUI |
| CHEBI:3641 | CHEBI |
| CHEMBL1200761 | ChEMBL_ID |
| DB00269 | DRUGBANK_ID |
| D002741 | MESH_DESCRIPTOR_UI |
| 11289 | PUBCHEM_CID |
| 7146 | IUPHAR_LIGAND_ID |
| 595 | INN_ID |
| 6V5034L121 | UNII |
| 4421 | MMSL |
| d00547 | MMSL |
| 001274 | NDDF |
| 400864005 | SNOMEDCT_US |
| 420464005 | SNOMEDCT_US |
| 4018622 | VANDF |
None