CHEMBL3787706


SMILES CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC
InChIKey WNFLQFAPYRIZST-LXTFILKESA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 14
Rotatable bonds 30
Molecular weight (Da) 986.6

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 8.6 8.6 8.6 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 9.2 9.27 9.33 ChEMBL
NTS1 NTR1 Human Neurotensin A pKd 9.24 9.3 9.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pEC50 8.7 8.7 8.7 ChEMBL
NTS1 NTR1 Human Neurotensin A pIC50 8.87 8.87 8.87 ChEMBL