CHEMBL3787709


SMILES CC[C@H](C)[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)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIKey WWZXYOXDJOMPPR-PHJDUDSJSA-O

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 14
Rotatable bonds 38
Molecular weight (Da) 1395.9

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 8.92 8.92 8.92 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 8.15 8.27 8.38 ChEMBL
NTS1 NTR1 Human Neurotensin A pKd 7.82 8.12 8.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pEC50 8.99 8.99 8.99 ChEMBL