CHEMBL3423401


SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2c3[nH]c4ccccc4c3CCN2C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
InChIKey PJNRWLKSWTWXBR-FETRQNOVSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 8
Rotatable bonds 22
Molecular weight (Da) 786.5

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
D1 DRD1 Human Dopamine A pKd 4.42 4.42 4.42 ChEMBL
A2A AA2AR Human Adenosine A pKd 4.8 4.8 4.8 ChEMBL
D2 DRD2 Human Dopamine A pKd 5.2 5.2 5.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database