AC-42


SMILES CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C
InChIKey ANTKBACNWQHQJE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 301.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations M1 M2

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.2 6.2 6.2 Guide to Pharmacology
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.55 6.55 6.55 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.76 5.9 6.05 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.01 6.01 6.01 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.55 5.55 5.55 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.85 5.85 5.85 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.35 5.35 5.35 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.75 7.75 7.75 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.19 7.19 7.19 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.4 7.4 7.4 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.28 6.28 6.28 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.08 6.08 6.08 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.11 7.11 7.11 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.96 7.96 7.96 ChEMBL
H1 HRH1 Human Histamine A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 6.13 6.4 6.82 ChEMBL