CHEMBL4522365
SMILES | CCc1cc(O)cc2c(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12 |
InChIKey | NQWXHRRWWPCDAJ-BRJLIKDPSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 5 |
Rotatable bonds | 6 |
Molecular weight (Da) | 383.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7YK6 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
RXFP3 | RL3R1 | Human | Relaxin family peptide | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
RXFP4 | RL3R2 | Human | Relaxin family peptide | A | pEC50 | 7.96 | 8.59 | 9.1 | ChEMBL |
RXFP3 | RL3R1 | Human | Relaxin family peptide | A | pEC50 | 6.92 | 7.35 | 7.74 | ChEMBL |