NAN 190


SMILES COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2
InChIKey SJDOMIRMMUGQQK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 393.2

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-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.97 5.97 5.97 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.02 9.02 9.02 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.52 9.52 9.52 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.06 8.14 9.22 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.19 7.48 8.02 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.7 9.14 9.59 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.88 9.18 9.26 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.42 7.42 7.42 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.06 8.21 9.22 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.3 7.3 7.3 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.4 9.4 9.4 Guide to Pharmacology
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 6.7 6.7 6.7 Guide to Pharmacology
α1A ADA1A Human Adrenoceptors A pKi 10.1 10.1 10.1 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 9.2 9.2 9.2 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 9.2 9.2 9.2 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.06 7.06 7.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 8.3 8.63 8.96 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.1 5.17 5.25 ChEMBL