(R,S)-PHPNECA
SMILES | CCNC(=O)[C@H]1O[C@H]([C@H]([C@H]1O)O)n1cnc2c1nc(C#CC(c1ccccc1)O)nc2N |
InChIKey | WOAZCBPWCCREDO-CERUIEQFSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 5 |
Rotatable bonds | 4 |
Molecular weight (Da) | 438.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
apelin | APJ | Human | Apelin | A | pIC50 | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
CXCR4 | CXCR4 | Human | Chemokine | A | pIC50 | 6.1 | 6.1 | 6.1 | Guide to Pharmacology |