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| Stem definition | Drug id | CAS RN |
|---|---|---|
| estrogens | 870 | 84-17-3 |
| Dose | Unit | Route |
|---|---|---|
| 2.50 | mg | O |
| 0.20 | mg | V |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 64 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,FLT3,GRK2,MAP2K6,MAP3K21,MAPK7,MARK4,PRKDC,SIK2,SIK3,STK10,STK33,TEK,TGFBR1,TTK,ULK1 | 28 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 9, 1947 | FDA | ORTHO MCNEIL PHARM |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | G03CB01 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM ESTROGENS Synthetic estrogens, plain |
| ATC | G03CC02 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM ESTROGENS Estrogens, combinations with other drugs |
| MeSH PA | D004967 | Estrogens |
| MeSH PA | D004968 | Estrogens, Non-Steroidal |
| MeSH PA | D006728 | Hormones |
| CHEBI has role | CHEBI:76988 | xenoestrogen |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Atrophic vaginitis | indication | 52441000 | |
| Dyspareunia | indication | 71315007 | |
| Atrophic vulva | indication | 248861000 | DOID:14275 |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
| Hypothyroidism | contraindication | 40930008 | DOID:1459 |
| Thrombosis of retinal vein | contraindication | 46085004 | |
| Humoral hypercalcemia of malignancy | contraindication | 47709007 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| 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 |
| Uterine leiomyoma | contraindication | 95315005 | DOID:13223 |
| Neoplasm of female genital organ | contraindication | 126907002 | DOID:120 |
| Deep venous thrombosis | contraindication | 128053003 | |
| Endometriosis | contraindication | 129103003 | |
| Mammography abnormal | contraindication | 168750009 | |
| Cerebrovascular accident | contraindication | 230690007 | |
| Pulmonary thromboembolism | contraindication | 233935004 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Endometrial carcinoma | contraindication | 254878006 | DOID:2871 |
| Pregnancy, function | contraindication | 289908002 | |
| Hypertriglyceridemia | contraindication | 302870006 | |
| Malignant tumor of ovary | contraindication | 363443007 | DOID:2394 |
| Thromboembolic disorder | contraindication | 371039008 | |
| Cardiovascular event risk | contraindication | 395112001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Estrogen receptor positive tumor | contraindication | 416053008 | |
| Resistance to activated protein C due to Factor V Leiden | contraindication | 421527008 | |
| Carcinoma of female breast | contraindication | 447782002 | |
| Smokes tobacco daily | contraindication | 449868002 | |
| Acute Thromboembolic Stroke | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.57 | acidic |
| pKa2 | 9.17 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Estrogen receptor | Nuclear hormone receptor | AGONIST | EC50 | 4.88 | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4018559 | VUID |
| N0000146879 | NUI |
| D00898 | KEGG_DRUG |
| 3368 | RXNORM |
| 4018559 | VANDF |
| C0012145 | UMLSCUI |
| CHEBI:4518 | CHEBI |
| CHEMBL1018 | ChEMBL_ID |
| DB00890 | DRUGBANK_ID |
| D004028 | MESH_DESCRIPTOR_UI |
| 667476 | PUBCHEM_CID |
| 7160 | IUPHAR_LIGAND_ID |
| 1523 | INN_ID |
| RRW32X4U1F | UNII |
| 4589 | MMSL |
| 001277 | NDDF |
| 126169003 | SNOMEDCT_US |
| 30988006 | SNOMEDCT_US |
| 13029-44-2 | SECONDARY_CAS_RN |
| RRW32X4U1F | INXIGHT DRUGS |
None