CHEMBL2237597 [175919]
CHEMBL2237597
| SMILES | CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1 |
| InChIKey | CUWNUEWNKUJFGP-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Log P | 5.180 |
| Molecular weight (Da) | 582.2 |
| Stereochemistry info | unspecified |
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 |
CHEMBL2237597
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