CXCR4 antagonist 22 [2618]
CXCR4 antagonist 22
| SMILES | Clc1ccccc1CN1CCC(CNCc2cccc(-c3ccccc3)c2)CC1 |
| InChIKey | XBEBHNXBLIDZDS-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Log P | 6.009 |
| Molecular weight (Da) | 404.2 |
| 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 |
CXCR4 antagonist 22
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