Molecule Details
| InChIKey | XQVVPGYIWAGRNI-JOCHJYFZSA-N |
|---|---|
| Compound Name | Bi 2536 |
| Canonical SMILES | CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 34 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16107 |
|---|---|
| Drug Name | BI 2536 |
| CAS Number | 755038-02-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | BI 2536 is under investigation in clinical trial NCT00376623 (Efficacy and Safety of BI 2536 in Advanced or Metastatic Non Small Cell Lung Cancer). |
Categories: Antimitotic Agents Heterocyclic Compounds, Fused-Ring
Cross-references: CHEMBL513909 ChemSpider: 9539348 PDB: R78 ZINC: ZINC000013986815
Target Activities (34)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 8.0 | IC50 | ChEMBL;BindingDB |
| O75676 | RPS6KA4 | Homo sapiens | Human | PF00069 PF00433 | 7.9 | Kd | ChEMBL;BindingDB |
| Q9NYY3 | PLK2 | Homo sapiens | Human | PF00069 PF00659 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q8N5S9 | CAMKK1 | Homo sapiens | Human | PF00069 | 7.7 | Kd | ChEMBL;BindingDB |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 7.6 | Kd | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q8TBX8 | PIP4K2C | Homo sapiens | Human | PF01504 | 7.0 | Kd | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.8 | Kd | ChEMBL;BindingDB |
| P21675 | TAF1 | Homo sapiens | Human | PF00439 PF12157 PF09247 PF15288 | 6.8 | IC50 | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.6 | Kd | ChEMBL;BindingDB |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 6.6 | Kd | ChEMBL;BindingDB |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.5 | Kd | ChEMBL;BindingDB |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.5 | Kd | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.5 | Kd | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.4 | Kd | ChEMBL;BindingDB |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| O00764 | PDXK | Homo sapiens | Human | PF08543 | 6.4 | Kd | ChEMBL |
| P19525 | EIF2AK2 | Homo sapiens | Human | PF00035 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | Kd | ChEMBL;BindingDB |
| P53355 | DAPK1 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00531 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P49761 | CLK3 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q15349 | RPS6KA2 | Homo sapiens | Human | PF00069 PF00433 | 6.2 | Kd | ChEMBL;BindingDB |
| P51956 | NEK3 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q8IY84 | NIM1K | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q8WTQ7 | GRK7 | Homo sapiens | Human | PF00069 PF00615 | 6.1 | Kd | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9UIK4 | DAPK2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P53350 | PLK1 | Serine/threonine-protein kinase PLK1 | inhibitor | targets |