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| Stem definition | Drug id | CAS RN |
|---|---|---|
| histone deacetylase inhibitors | 4973 | 743420-02-2 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK1,GRK2,GRK3,ITK,JAK2,KIT,MAP2K6,MAP3K21,MAP3K7,MAPK12,MAPK7,MARK4,MELK,MET,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 43 | |||
| kinase-selectivity-class | AXL,DYRK1B,GRK2,PDK4,TTK | 5 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| June 23, 2021 | PMDA | HUYA JAPAN G.K. | |
| Dec. 23, 2014 | China Food and Drug Administration (CFDA) |
| 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 |
|---|---|---|---|---|---|---|
| Myelosuppression | 224.27 | 104.81 | 51 | 367 | 53540 | 90574489 |
| 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 |
|---|---|---|---|---|---|---|
| Myelosuppression | 225.03 | 67.82 | 56 | 365 | 40405 | 42580509 |
| 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 |
|---|---|---|---|---|---|---|
| Myelosuppression | 338.94 | 80.50 | 90 | 861 | 94250 | 110494098 |
| Hypokalaemia | 91.90 | 80.50 | 40 | 911 | 182408 | 110405940 |
| Thrombocytopenia | 89.17 | 80.50 | 48 | 903 | 348837 | 110239511 |
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| Source | Code | Description |
|---|---|---|
| ATC | L01XH06 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS OTHER ANTINEOPLASTIC AGENTS Histone deacetylase (HDAC) inhibitors |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:64946 | anti-HIV agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Peripheral T-cell lymphoma | indication | 109977009 | |
| Relapsed or refractory T-cell leukemia-lymphoma | indication | 110007008 | DOID:5603 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.63 | acidic |
| pKa2 | 11.87 | acidic |
| pKa3 | 4.26 | Basic |
| pKa4 | 3.32 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histone deacetylase 2 | Enzyme | INHIBITOR | IC50 | 6.80 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||
| Histone deacetylase 1 | Enzyme | INHIBITOR | IC50 | 7.02 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||
| Histone deacetylase 3 | Enzyme | INHIBITOR | IC50 | 7.17 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||
| Histone deacetylase 10 | Enzyme | INHIBITOR | IC50 | 7.11 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||
| Histone deacetylase 8 | Enzyme | INHIBITOR | IC50 | 6.14 | SCIENTIFIC LITERATURE | ||||
| Histone deacetylase 11 | Enzyme | INHIBITOR | IC50 | 6.37 | SCIENTIFIC LITERATURE | ||||
| Nicotinamide phosphoribosyltransferase | Enzyme | IC50 | 5.68 | CHEMBL |
| ID | Source |
|---|---|
| 87CIC980Y0 | UNII |
| C2932486 | UMLSCUI |
| CHEBI:135918 | CHEBI |
| CHEMBL3621988 | ChEMBL_ID |
| 12136798 | PUBCHEM_CID |
| DB06334 | DRUGBANK_ID |
| 10318 | INN_ID |
| 8305 | IUPHAR_LIGAND_ID |
| D10993 | KEGG_DRUG |
| 019181 | NDDF |
| 1616493-44-7 | SECONDARY_CAS_RN |
| C000613826 | MESH_SUPPLEMENTAL_RECORD_UI |
| 87CIC980Y0 | INXIGHT DRUGS |
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