CHEMBL2367715
SMILES | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 |
InChIKey | UYMDKKVILQGGBT-ZTOMLWHTSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 6 |
Rotatable bonds | 13 |
Molecular weight (Da) | 551.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CXCR4 | CXCR4 | Human | Chemokine | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CXCR4 | CXCR4 | Human | Chemokine | A | pIC50 | 7.89 | 7.89 | 7.89 | ChEMBL |