Molecule Details
| InChIKey | DFWBYSXAPDBNKH-CRSZLUBMSA-N |
|---|---|
| Compound Name | (2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide |
| Canonical SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCc1ccccn1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.92 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04350 | TUBB4A | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P07437 | TUBB | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P0DPH7 | TUBA3C | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P68363 | TUBA1B | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P68366 | TUBA4A | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P68371 | TUBB4B | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q13509 | TUBB3 | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q13885 | TUBB2A | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q3ZCM7 | TUBB8 | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q6PEY2 | TUBA3E | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q71U36 | TUBA1A | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q9BQE3 | TUBA1C | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q9BUF5 | TUBB6 | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q9BVA1 | TUBB2B | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q9H4B7 | TUBB1 | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |