[3H]NLX-112


SMILES Cc1ccc(nc1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F
InChIKey PKZXLMVXBZICTF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 393.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 8.9 8.9 8.9 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.07 9.07 9.07 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.7 5.7 5.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.0 9.27 9.42 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.0 5.0 5.0 ChEMBL
5-HT2A 5HT2A Pig 5-Hydroxytryptamine A pKi 4.64 4.64 4.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 4.34 4.58 4.82 ChEMBL
D1 DRD1 Pig Dopamine A pKi 4.58 4.58 4.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.01 7.64 8.55 ChEMBL