N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)(phenyl)methanesulfonamide
SMILES | CC1=CC=CC=C1N2C3=CC=CC=C3C(CC(C4=CC=CC=C42)(C)O)(C)O |
InChIKey | YBDIBILKFQGESG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 1 |
Molecular weight (Da) | 359.2 |
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 |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.44 | 8.68 | 8.92 | PDSP Ki database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.09 | 7.09 | 7.09 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.62 | 7.62 | 7.62 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.09 | 6.12 | 6.16 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |