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| Stem definition | Drug id | CAS RN |
|---|---|---|
| mineralocorticoid receptor (MR, MCR, aldosterone receptor) antagonists | 1685 | 863-61-6 |
| Molecule | Description |
|---|---|
|
Synonyms:
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None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 0.23 % | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 | 62 | |||
| kinase-selectivity-class | AXL,BRAF,CDK4,EIF2AK3,GRK2,MAP2K6,STK33,TEK,TTK | 9 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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 |
|---|---|---|---|---|---|---|
| Cerebral infarction | 41.63 | 26.86 | 16 | 1521 | 26580 | 90600330 |
| Hepatic function abnormal | 39.27 | 26.86 | 18 | 1519 | 46270 | 90580640 |
| Disseminated intravascular coagulation | 30.31 | 26.86 | 12 | 1525 | 21526 | 90605384 |
| Platelet count decreased | 29.91 | 26.86 | 22 | 1515 | 136947 | 90489963 |
| 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 |
|---|---|---|---|---|---|---|
| Cerebral haemorrhage | 74.41 | 29.12 | 31 | 1155 | 38935 | 42581214 |
| Cerebral infarction | 37.58 | 29.12 | 18 | 1168 | 31151 | 42588998 |
| Hepatic function abnormal | 36.95 | 29.12 | 21 | 1165 | 51546 | 42568603 |
| Thalamus haemorrhage | 30.96 | 29.12 | 7 | 1179 | 1112 | 42619037 |
| 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 |
|---|---|---|---|---|---|---|
| Cerebral haemorrhage | 88.94 | 23.53 | 40 | 2805 | 64928 | 110521526 |
| Cerebral infarction | 77.63 | 23.53 | 34 | 2811 | 51804 | 110534650 |
| Hepatic function abnormal | 71.15 | 23.53 | 38 | 2807 | 89257 | 110497197 |
| Disseminated intravascular coagulation | 48.88 | 23.53 | 23 | 2822 | 41263 | 110545191 |
| Platelet count decreased | 44.43 | 23.53 | 41 | 2804 | 230402 | 110356052 |
| Brain herniation | 39.82 | 23.53 | 13 | 2832 | 8850 | 110577604 |
| Thalamus haemorrhage | 37.71 | 23.53 | 9 | 2836 | 1955 | 110584499 |
| Altered state of consciousness | 36.22 | 23.53 | 21 | 2824 | 57605 | 110528849 |
| Embolic stroke | 32.03 | 23.53 | 11 | 2834 | 8732 | 110577722 |
| Pneumonia | 31.09 | 23.53 | 69 | 2776 | 876645 | 109709809 |
| Upper respiratory tract inflammation | 30.57 | 23.53 | 9 | 2836 | 4362 | 110582092 |
| Renal impairment | 29.64 | 23.53 | 30 | 2815 | 188415 | 110398039 |
| Serum ferritin increased | 28.77 | 23.53 | 11 | 2834 | 11836 | 110574618 |
| Pneumonia aspiration | 27.32 | 23.53 | 20 | 2825 | 81213 | 110505241 |
| Brain oedema | 26.90 | 23.53 | 14 | 2831 | 31084 | 110555370 |
| Pyrexia | 24.60 | 23.53 | 64 | 2781 | 898201 | 109688253 |
| Putamen haemorrhage | 24.40 | 23.53 | 5 | 2840 | 540 | 110585914 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M05BX08 | MUSCULO-SKELETAL SYSTEM DRUGS FOR TREATMENT OF BONE DISEASES DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION Other drugs affecting bone structure and mineralization |
| MeSH PA | D003029 | Coagulants |
| MeSH PA | D006401 | Hematologic Agents |
| MeSH PA | D006490 | Hemostatics |
| MeSH PA | D000933 | Antifibrinolytic Agents |
| MeSH PA | D014815 | Vitamins |
| MeSH PA | D018977 | Micronutrients |
| CHEBI has role | CHEBI:22586 | antioxidant |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:50646 | bone density conservation agent |
| CHEBI has role | CHEBI:63726 | neuroprotective agent |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:77746 | human metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hemorrhagic disease of the newborn due to vitamin K deficiency | indication | 12546009 |
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None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Alpha-synuclein | Transporter | IC50 | 4.82 | CHEMBL | |||||
| Cruzipain | Enzyme | IC50 | 4.74 | CHEMBL |
| ID | Source |
|---|---|
| D00100 | KEGG_DRUG |
| C0065936 | UMLSCUI |
| CHEBI:16374 | CHEBI |
| 1L3 | PDB_CHEM_ID |
| CHEMBL259223 | ChEMBL_ID |
| CHEMBL5314971 | ChEMBL_ID |
| DB12148 | DRUGBANK_ID |
| C030814 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3292 | INN_ID |
| 27Y876D139 | UNII |
| 5282367 | PUBCHEM_CID |
| DB14936 | DRUGBANK_ID |
| 29495 | RXNORM |
| 337527 | MMSL |
| 35482 | MMSL |
| 37263 | MMSL |
| d09345 | MMSL |
| 012756 | NDDF |
| 013766 | NDDF |
| 22606007 | SNOMEDCT_US |
| 712684001 | SNOMEDCT_US |
| D024482 | MESH_DESCRIPTOR_UI |
| 2771 | IUPHAR_LIGAND_ID |
None