CHEMBL5990729 [448135]
CHEMBL5990729
| SMILES | CC(CCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CCC(=O)N1CCCc1ccc(C(=O)O)s1 |
| InChIKey | UFEKCCMQUIWXBK-UXBVXSMZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Log P | 4.946 |
| Molecular weight (Da) | 455.2 |
| Stereochemistry info | partial |
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 |
CHEMBL5990729
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0