meclinertant


SMILES COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC
InChIKey DYLJVOXRWLXDIG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 586.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6Z4S 6ZIN 7UL2
Ligand site mutations NTS1

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pKi 8.4 8.4 8.4 Guide to Pharmacology
NTS2 NTR2 Human Neurotensin A pKi 6.4 6.4 6.4 Guide to Pharmacology
NTS1 NTR1 Rat Neurotensin A pKi 8.0 8.3 8.6 Guide to Pharmacology
NTS2 NTR2 Rat Neurotensin A pKi 7.21 7.21 7.21 ChEMBL
NTS1 NTR1 Rat Neurotensin A pKi 8.59 8.59 8.59 ChEMBL
NTS2 NTR2 Human Neurotensin A pKi 6.38 6.38 6.38 ChEMBL
NTS1 NTR1 Human Neurotensin A pKd 7.48 7.8 8.08 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pIC50 7.5 7.85 8.2 Guide to Pharmacology
NTS2 NTR2 Mouse Neurotensin A pIC50 7.1 7.1 7.1 Guide to Pharmacology
NTS2 NTR2 Rat Neurotensin A pEC50 6.92 6.92 6.92 ChEMBL
NTS1 NTR1 Rat Neurotensin A pIC50 7.09 7.09 7.09 ChEMBL
NTS1 NTR1 Human Neurotensin A pEC50 4.51 4.51 4.51 ChEMBL
NTS1 NTR1 Human Neurotensin A pIC50 7.09 8.04 9.0 ChEMBL