CHEMBL577904
SMILES | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C |
InChIKey | NFQWOMAFZMZYOX-FZNQNYSPSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 403.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 6.04 | 6.04 | 6.04 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.68 | 6.68 | 6.68 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |