compound 10d [PMID: 34855388]
| SMILES | C(#N)c1cc2c(c[nH]c2c(c1)C)/C=N/NC(=N)NCCc1ccc(C(=O)OC)cc1 |
| InChIKey | XIVYUSRYHWXGLX-UVHMKAGCSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 402.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| RXFP3 | RL3R1 | Human | Relaxin family peptide | A | pKi | 7.16 | 7.16 | 7.16 | Guide to Pharmacology |
| RXFP3 | RL3R1 | Human | Relaxin family peptide | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| RXFP3 | RL3R1 | Human | Relaxin family peptide | A | pEC50 | 8.51 | 8.51 | 8.51 | Guide to Pharmacology |
| RXFP4 | RL3R2 | Human | Relaxin family peptide | A | pEC50 | 8.57 | 8.57 | 8.57 | Guide to Pharmacology |
| RXFP3 | RL3R1 | Human | Relaxin family peptide | A | pEC50 | 7.91 | 8.21 | 8.51 | ChEMBL |
| RXFP4 | RL3R2 | Human | Relaxin family peptide | A | pEC50 | 8.57 | 8.57 | 8.57 | ChEMBL |