CHEMBL2237580 [175902]
CHEMBL2237580
| SMILES | CCCCc1nnc(C(=O)NCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1 |
| InChIKey | VRSSGHXZYJJXMI-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Log P | 4.031 |
| Molecular weight (Da) | 535.2 |
| 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 |
CHEMBL2237580
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