Molecule Details
| InChIKey | LUJZZYWHBDHDQX-QFIPXVFZSA-N |
|---|---|
| Compound Name | Bms-599626 |
| Canonical SMILES | Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12318 |
|---|---|
| Drug Name | BMS-599626 |
| CAS Number | 714971-09-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | BMS-599626 has been used in trials studying the treatment of Cancer, Metastases, and HER2 or EGFR Expressing Advanced Solid Malignancies. |
Categories: Acids, Acyclic ErbB Receptors, antagonists & inhibitors
Cross-references: BindingDB: 50333373 CHEMBL1645462 ChemSpider: 8612442 PubChem:10437018 PubChem:347828581 ZINC: ZINC000006717782
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.6 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.7 | IC50 | ChEMBL;BindingDB |