CMPD-1
| SMILES | COc1cc(OC)c(c(c1)OC)NC(=O)c1ccc(o1)Cc1cc2c(cc1C)C(C)(C)CCC2(C)C |
| InChIKey | IPEMCIBPDYCJLO-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 491.3 |
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 |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 8.42 | 8.42 | 8.42 | ChEMBL |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 7.72 | 8.05 | 8.22 | ChEMBL |
| GnRH1 | GNRHR | Mouse | Gonadotrophin-releasing hormone | A | pKi | 8.66 | 8.66 | 8.66 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |