CHEMBL4114090 [316374]
CHEMBL4114090
| SMILES | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC[C@@H]3COC)cc2C)ncn1 |
| InChIKey | DCXALLYTLVVHFY-JOCHJYFZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Log P | 4.275 |
| Molecular weight (Da) | 451.3 |
| Stereochemistry info | full |
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 |
CHEMBL4114090
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