CHEMBL3423408


SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
InChIKey IBCSETAMVUUPMW-PVURQLNPSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 17
Molecular weight (Da) 772.4

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 Human Dopamine A pKd 5.4 5.4 5.4 ChEMBL
A2A AA2AR Human Adenosine A pKd 4.57 4.57 4.57 ChEMBL
D2 DRD2 Human Dopamine A pKd 4.89 5.59 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database