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1'-benzyl-3-phenyl-[3,4'-bipiperidine]-2,6-dione

AlkaPlorer ID: AK073256

Synonym: None

IUPAC Name: 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione

Structure

SMILES: O=C1CCC(C2=CC=CC=C2)(C2CCN(CC3=CC=CC=C3)CC2)C(=O)N1

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InChI: InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)

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InChIKey: LQQIVYSCPWCSSD-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 362.47300000000007

TPSA？: 49.41

MolLogP？: 3.273200000000001

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus Cavia porcellus Log B/F -0.184 None 10.1021/jm00179a017
Homo sapiens C-X-C chemokine receptor type 3 IC50 10000.0 nM 10.1016/j.bmcl.2008.07.115
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 891.3 nM None
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 1.0 nM 10.1016/j.bmcl.2008.07.115
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 10000.0 nM 10.1016/j.bmcl.2008.07.115
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 1.0 nM 10.1016/j.bmcl.2008.07.115
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 10000.0 nM 10.1016/j.bmcl.2008.07.115
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 1.0 nM 10.1016/j.bmcl.2008.07.115
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 10000.0 nM 10.1016/j.bmcl.2008.07.115
Homo sapiens Serum albumin Log B/F 0.087 None 10.1021/jm00179a017
Plasmodium falciparum Plasmodium falciparum Potency 2685.5 nM None
Rattus norvegicus Muscarinic acetylcholine receptor IC50 15.0 nM 10.1021/jm00125a021
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -0.7 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.13 % 10.6019/CHEMBL4495565
None ADMET Binding energy 12.0 kCal mol-1 10.1021/jm00378a021
None No relevant target LogP 3.55 None 10.1021/jm00179a017
None Unchecked Potency 28183.8 nM None

Metabolism Information