CHEMBL2413251 [182657]
CHEMBL2413251
| SMILES | Cn1cc2c(nc(NCCCCNC(=S)Nc3ccc(C4c5ccc(O)cc5OC5=CC(=O)C=CC54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1 |
| InChIKey | INPOPWSUUIWRAQ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 10 |
| Log P | 5.017 |
| Molecular weight (Da) | 717.2 |
| 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 |
CHEMBL2413251
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