Molecule Details
| InChIKey | JQNINBDKGLWYMU-GEAQBIRJSA-N |
|---|---|
| Compound Name | Tapotoclax |
| Canonical SMILES | CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17166 |
|---|---|
| Drug Name | Tapotoclax |
| CAS Number | 1883727-34-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50514200 CHEMBL4446378 ChemSpider: 71060718 PDB: VF8
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 10.2 | Ki | ChEMBL |
| Q07820 | MCL1 | Homo sapiens | Human | PF00452 | 10.2 | Ki | ChEMBL;BindingDB |
| Q07817 | BCL2L1 | Homo sapiens | Human | PF00452 PF02180 | 6.2 | Ki | ChEMBL;BindingDB |
| P10415 | BCL2 | Homo sapiens | Human | PF00452 PF02180 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q07820 | MCL1 | Induced myeloid leukemia cell differentiation protein Mcl-1 | inhibitor | targets |