CHEMBL484357
SMILES | CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#Cc2ccccc2)CC1 |
InChIKey | YDCWHOYYMICCQD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 490.3 |
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 |
D1 | DRD1 | Pig | Dopamine | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.26 | 5.29 | 5.33 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.26 | 5.29 | 5.33 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.52 | 6.52 | 6.52 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.51 | 5.51 | 5.51 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |