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

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