BMS compound 4c
SMILES | CC(c1ccccc1Oc1ncccc1Nc1nnc(s1)c1ccc(cc1)C(F)(F)F)(C)C |
InChIKey | ROIKEXLVELZTIZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 470.1 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
motilin | MTLR | Human | Motilin | A | pEC50 | 8.6 | 8.6 | 8.6 | ChEMBL |
ghrelin | GHSR | Human | Ghrelin | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |