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

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
α1A ADA1A Human Adrenoceptors A pKi 7.75 7.75 7.75 ChEMBL
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
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