SR142948A


SMILES COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC
InChIKey LWULHXVBLMWCHO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 13
Molecular weight (Da) 685.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6Z4Q

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS2 NTR2 Rat Neurotensin A pKi 8.15 8.2 8.24 ChEMBL
NTS1 NTR1 Rat Neurotensin A pKi 8.7 8.77 8.85 ChEMBL
NTS2 NTR2 Human Neurotensin A pKi 7.13 7.13 7.13 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 8.96 8.98 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pIC50 8.9 8.9 8.9 Guide to Pharmacology
NTS2 NTR2 Rat Neurotensin A pEC50 7.66 7.7 7.75 ChEMBL
NTS1 NTR1 Human Neurotensin A pIC50 7.3 8.64 9.62 ChEMBL
NTS1 NTR1 Human Neurotensin A pEC50 5.0 5.0 5.0 ChEMBL