ATC0175
SMILES | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C |
InChIKey | FAIMGWSOSCFGRU-IYBDPMFKSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 425.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 7.9 | 8.0 | 8.1 | Guide to Pharmacology |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.52 | 6.52 | 6.52 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.58 | 6.78 | 6.98 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.77 | 7.77 | 7.77 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.82 | 7.42 | 8.02 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 8.08 | 8.23 | 8.47 | ChEMBL |
Y5 | NPY5R | Human | Neuropeptide Y | A | pIC50 | 5.57 | 5.57 | 5.57 | ChEMBL |