CHEMBL3086356


SMILES COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)CCCCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)cc1C(C)C
InChIKey BTGHVQLCWVPIKL-FWCFWDTMSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 20
Molecular weight (Da) 958.5

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
NTS2 NTR2 Human Neurotensin A pKi 7.16 7.16 7.16 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 9.01 9.01 9.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database