Molecule Details
| InChIKey | LSXOBYNBRKOTIQ-RUWULMSLSA-N |
|---|---|
| Compound Name | (3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3S)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| Canonical SMILES | COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.33 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04350 | TUBB4A | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| P07437 | TUBB | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| P0DPH7 | TUBA3C | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| P68363 | TUBA1B | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| P68366 | TUBA4A | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| P68371 | TUBB4B | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| Q13509 | TUBB3 | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| Q13885 | TUBB2A | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| Q3ZCM7 | TUBB8 | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| Q6PEY2 | TUBA3E | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| Q71U36 | TUBA1A | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| Q9BQE3 | TUBA1C | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| Q9BUF5 | TUBB6 | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| Q9BVA1 | TUBB2B | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |
| Q9H4B7 | TUBB1 | Homo sapiens | Human | PF00091 PF03953 | 7.3 | Kd | ChEMBL |