WAY-207024
SMILES | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C |
InChIKey | AVEVJMZJJJDOCI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 476.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK2 | NK2R | Human | Tachykinin | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.92 | 7.92 | 7.92 | Guide to Pharmacology |
GnRH1 | G3V693 | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 7.15 | 7.15 | 7.15 | Guide to Pharmacology |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.55 | 7.73 | 7.92 | ChEMBL |