CHEMBL1514043 [97328]
CHEMBL1514043
| SMILES | CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O)C(=O)O |
| InChIKey | ZTUUBFYOBDOHPM-FIKIJFGZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 8 |
| Log P | 2.739 |
| Molecular weight (Da) | 456.2 |
| 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 |
CHEMBL1514043
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