CHEMBL252258
SMILES | CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2 |
InChIKey | IENZWNOPOBXYDA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 508.2 |
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 |
CXCR3 | CXCR3 | Mouse | Chemokine | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
CXCR3 | CXCR3 | Human | Chemokine | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |