CHEMBL583014
SMILES | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1 |
InChIKey | YHSRTUXPXLVIAG-CALCHBBNSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 489.2 |
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 | 8.1 | 8.1 | 8.1 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 5.88 | 5.88 | 5.88 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |