Molecule Details
| InChIKey | YOJHPSLHBFFDDL-ONNFQVAWSA-N |
|---|---|
| Compound Name | Anticancer agent 56 |
| Canonical SMILES | COc1ccc(/C=C/C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 19 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (19)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04350 | TUBB4A | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| P07437 | TUBB | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| P0DPH7 | TUBA3C | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| P68363 | TUBA1B | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| P68366 | TUBA4A | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| P68371 | TUBB4B | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| Q13509 | TUBB3 | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| Q13885 | TUBB2A | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| Q3ZCM7 | TUBB8 | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| Q6PEY2 | TUBA3E | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| Q71U36 | TUBA1A | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| Q9BQE3 | TUBA1C | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| Q9BUF5 | TUBB6 | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| Q9BVA1 | TUBB2B | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| Q9H4B7 | TUBB1 | Homo sapiens | Human | PF00091 PF03953 | 8.0 | IC50 | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q04206 | RELA | Homo sapiens | Human | PF16179 PF00554 | 6.9 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.4 | IC50 | ChEMBL;BindingDB |