CHEMBL3265318


SMILES C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)[C@@H](C)O)[C@@H](C)O)C2=O)cc(OC)c1OC
InChIKey YWHIUWBZLAIORJ-KJSDXJSGSA-N

Chemical properties

Hydrogen bond acceptors 54
Hydrogen bond donors 42
Rotatable bonds 125
Molecular weight (Da) 3592.7

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
D2 DRD2 Human Dopamine A pKi 7.45 7.45 7.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database