CHEMBL5779034 [408780]
CHEMBL5779034
| SMILES | COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@@H](C(=O)N3CCC3)CN(c3ncc(F)cn3)C2)nnc1-c1ccc(C)o1 |
| InChIKey | CWLRNJQIXCKVIR-UYAOXDASSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Log P | 2.651 |
| Molecular weight (Da) | 626.2 |
| Stereochemistry info | partial |
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 |
CHEMBL5779034
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