CHEMBL4748745 [354014]
CHEMBL4748745
| SMILES | Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCCNC(=O)OC(C)(C)C)cc3)n3nc(-c4ccco4)nc23)n1 |
| InChIKey | XMDPZUSARWMGBX-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Log P | 4.696 |
| Molecular weight (Da) | 617.3 |
| 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 |
CHEMBL4748745
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