General Information of the Compound
| Compound ID |
CP0029624
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| Compound Name |
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one
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| Synonyms |
4-(4-Butylpiperidin-1-yl)-1-o-tolylbutan-1-one
4-(4-butylpiperdin-1-yl)-1-(2-methylphenyl)butan-1-one
4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one
AC-42
AC42
AKOS030284249
ANTKBACNWQHQJE-UHFFFAOYSA-N
BDBM50326219
CHEMBL1242950
GTPL289
L019209
NCGC00485453-01
SCHEMBL4504348
ZINC2022527
gamma-(4-Butylpiperidino)-2'-methylbutyrophenone
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| Structure |
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| Formula |
C20H31NO
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| Molecular Weight |
301.474
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| Canonical SMILES |
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
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| InChI |
InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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| InChIKey |
ANTKBACNWQHQJE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Clinical Information about the Compound
Drug 1 ( 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one )
| Drug Name | 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | ||
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| Target(s) |
Muscarinic acetylcholine receptor M1 (CHRM1)
Inhibitor
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