LACIDIPINE
SMILES | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C |
InChIKey | GKQPCPXONLDCMU-CCEZHUSRSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 455.2 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
A3 | AA3R | Human | Adenosine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.21 | 5.21 | 5.21 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 5.39 | 5.39 | 5.39 | ChEMBL |