CHEMBL3787704


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)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIKey YSDMCVFFBDNGNG-CIYBFAGOSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 14
Rotatable bonds 28
Molecular weight (Da) 930.6

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS2 NTR2 Human Neurotensin A pKi 9.13 9.13 9.13 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 9.16 9.25 9.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pEC50 8.77 8.79 8.81 ChEMBL
NTS1 NTR1 Human Neurotensin A pIC50 8.87 8.87 8.87 ChEMBL