CHEMBL1916720
SMILES | CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN5CCN(c6ccccc6OC)CC5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1 |
InChIKey | PGCKDCUFJMOFOO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 16 |
Hydrogen bond donors | 2 |
Rotatable bonds | 38 |
Molecular weight (Da) | 1137.7 |
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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.6 | 7.68 | 7.77 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |