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
Endogenous/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
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.99 7.99 7.99 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.36 8.36 8.36 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.36 8.36 8.36 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.21 7.21 7.21 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.99 7.99 7.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database