CHEMBL1682942 [121186]
CHEMBL1682942
| SMILES | CC[C@H](NC(=O)c1c(C[S@@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 |
| InChIKey | PWWDZABEDRJKJU-JPQMRUPTSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Log P | 5.661 |
| Molecular weight (Da) | 442.2 |
| Stereochemistry info | full |
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 |
CHEMBL1682942
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