CHEMBL3634092 [487250]
CHEMBL3634092
| SMILES | CCc1cc(OC)ccc1-c1ccc(C[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]3CSSC[C@@H](C(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](Cc4cnc[nH]4)NC(C)=O)C(=O)N[C@@](C)(Cc4c(F)cccc4F)C(=O)N3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCc3ccccc3)NC2=O)cc1 |
| InChIKey | IYPFNWMUIJIVPY-AXRNXOJASA-N |
Chemical Properties
| Hydrogen bond acceptors | 24 |
| Hydrogen bond donors | 19 |
| Rotatable bonds | 31 |
| Log P | 0.468 |
| Molecular weight (Da) | 1844.7 |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL3634092
Drug properties
| Molecular type | Protein |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0