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| Stem definition | Drug id | CAS RN |
|---|---|---|
| diphenylmethyl piperazine derivatives | 1595 | 101477-55-8 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 41 | |||
| kinase-selectivity-class | AKT3,AXL,EPHB4,ERBB2,GRK2,SIK2 | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000077264 | Calcium-Regulating Hormones and Agents |
| MeSH PA | D002121 | Calcium Channel Blockers |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D049990 | Membrane Transport Modulators |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.03 | Basic |
| pKa2 | 3.03 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B | Ion channel | IC50 | 5.61 | CHEMBL |
| ID | Source |
|---|---|
| D02633 | KEGG_DRUG |
| C0630704 | UMLSCUI |
| CHEBI:94682 | CHEBI |
| CHEMBL29188 | ChEMBL_ID |
| DB14065 | DRUGBANK_ID |
| C052424 | MESH_SUPPLEMENTAL_RECORD_UI |
| 7004 | INN_ID |
| 101477-54-7 | SECONDARY_CAS_RN |
| DEE37CY4VO | UNII |
| 3949 | PUBCHEM_CID |
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