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 |