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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 600 | 302-22-7 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 24 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIM2,PRKDC,STK33,SYK,TEK,TTK,ZAP70 | 37 | |||
| kinase-selectivity-class | EIF2AK3,GRK2 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.66 |
None
| 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 | 215.96 | 38.18 | 42 | 1597 | 5029 | 90621779 |
| Ulnar tunnel syndrome | 83.07 | 38.18 | 9 | 1630 | 9 | 90626799 |
| Diabetic metabolic decompensation | 52.20 | 38.18 | 11 | 1628 | 1946 | 90624862 |
| Menometrorrhagia | 44.89 | 38.18 | 9 | 1630 | 1246 | 90625562 |
| Intermenstrual bleeding | 43.84 | 38.18 | 13 | 1626 | 9210 | 90617598 |
| Scar | 41.18 | 38.18 | 14 | 1625 | 15381 | 90611427 |
| Attention deficit hyperactivity disorder | 38.95 | 38.18 | 10 | 1629 | 4174 | 90622634 |
None
| 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 | 190.58 | 33.13 | 36 | 1283 | 5629 | 110582351 |
| Ulnar tunnel syndrome | 86.34 | 33.13 | 9 | 1310 | 10 | 110587970 |
| Menometrorrhagia | 51.57 | 33.13 | 9 | 1310 | 897 | 110587083 |
| Diabetic metabolic decompensation | 49.25 | 33.13 | 11 | 1308 | 3878 | 110584102 |
| Intermenstrual bleeding | 38.07 | 33.13 | 10 | 1309 | 6924 | 110581056 |
| Avoidant personality disorder | 36.57 | 33.13 | 5 | 1314 | 98 | 110587882 |
| Claustrophobia | 34.46 | 33.13 | 7 | 1312 | 1572 | 110586408 |
None
| Source | Code | Description |
|---|---|---|
| ATC | G03AA15 | 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 | G03AB07 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE Progestogens and estrogens, sequential preparations |
| ATC | G03DB06 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM PROGESTOGENS Pregnadien derivatives |
| ATC | G03FB03 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM PROGESTOGENS AND ESTROGENS IN COMBINATION Progestogens and estrogens, sequential preparations |
| MeSH PA | D000080066 | Contraceptive Agents, Hormonal |
| MeSH PA | D000726 | Androgen Antagonists |
| MeSH PA | D003271 | Contraceptive Agents, Female |
| MeSH PA | D003278 | Contraceptives, Oral, Hormonal |
| MeSH PA | D003280 | Contraceptives, Oral, Synthetic |
| MeSH PA | D006727 | Hormone Antagonists |
| MeSH PA | D012102 | Reproductive Control Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Endometriosis | indication | 129103003 | |
| Menorrhagia | indication | 386692008 |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Nuclear hormone receptor | Ki | 7.76 | DRUG MATRIX | |||||
| Cytochrome P450 2C19 | Enzyme | IC50 | 5.52 | DRUG MATRIX | |||||
| Sodium/potassium-transporting ATPase subunit alpha-2 | Ion channel | IC50 | 5.34 | DRUG MATRIX | |||||
| Androgen receptor | Transcription factor | Ki | 7.68 | DRUG MATRIX | |||||
| Progesterone receptor | Transcription factor | Ki | 9.16 | DRUG MATRIX |
| ID | Source |
|---|---|
| D01299 | KEGG_DRUG |
| 1961-77-9 | SECONDARY_CAS_RN |
| 2369 | RXNORM |
| C0008214 | UMLSCUI |
| CHEBI:31394 | CHEBI |
| CHEMBL110691 | ChEMBL_ID |
| CHEMBL1697830 | ChEMBL_ID |
| DB13528 | DRUGBANK_ID |
| D002715 | MESH_DESCRIPTOR_UI |
| 5284533 | PUBCHEM_CID |
| 1210 | INN_ID |
| SDS4N642GG | UNII |
| DB15903 | DRUGBANK_ID |
| 001294 | NDDF |
| 004937 | NDDF |
| 734645001 | SNOMEDCT_US |
| 734647009 | SNOMEDCT_US |
| SDS4N642GG | INXIGHT DRUGS |
None