CHEMBL4597094


SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O
InChIKey MMHHIRBOAQJREB-VEIVPZTASA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 13
Rotatable bonds 22
Molecular weight (Da) 816.5

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
NTS2 NTR2 Human Neurotensin A pKi 9.34 9.34 9.34 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 8.44 8.68 8.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pEC50 8.77 8.77 8.77 ChEMBL