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2-(4-methylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine

AlkaPlorer ID: AK166837

Synonym: None

IUPAC Name: 2-(4-methylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine

Structure

SMILES: CN1CCN(C2=NC=C(C3=CC(Cl)=CC(Cl)=C3Cl)C(N)=N2)CC1

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InChI: InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)

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InChIKey: PDOCBJADCWMDGL-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 372.6870000000001

TPSA？: 58.28

MolLogP？: 3.437800000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus Voltage-dependent L-type calcium channel subunit alpha-1C IC50 6020.0 nM None
Homo sapiens Histone deacetylase 6 Inhibition -37.93 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -3.14 % 10.6019/CHEMBL4808148
Homo sapiens Potassium channel subfamily K member 2 IC50 4000.0 nM 10.1021/acs.jmedchem.5b00671
Homo sapiens Potassium channel subfamily K member 2 Inhibition 75.0 % 10.1021/acs.jmedchem.5b00671
Homo sapiens Potassium channel subfamily K member 4 Inhibition 45.0 % 10.1021/acs.jmedchem.5b00671
Homo sapiens Sodium channel protein type I alpha subunit Inhibition 55.0 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type II alpha subunit IC50 2550.0 nM 10.1016/0960-894X(95)00392-7
Homo sapiens Sodium channel protein type II alpha subunit Inhibition 21.6 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type II alpha subunit Inhibition 40.1 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type II alpha subunit Inhibition 75.2 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type II alpha subunit Inhibition 84.6 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type III alpha subunit Inhibition 61.0 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type IV alpha subunit Inhibition 97.0 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type IX alpha subunit Inhibition 67.0 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type V alpha subunit Inhibition 97.0 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type VIII alpha subunit Inhibition 10.4 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type VIII alpha subunit Inhibition 37.0 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type VIII alpha subunit Inhibition 43.4 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type VIII alpha subunit Inhibition 63.2 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type VIII alpha subunit Inhibition 70.0 % 10.1021/jm801180p
Homo sapiens Sodium channel protein type X alpha subunit Inhibition 76.0 % 10.1021/jm801180p
Rattus norvegicus Glutamate NMDA receptor IC50 nan nM 10.1021/jm980134b
Rattus norvegicus Glutamate NMDA receptor Inhibition nan % 10.1021/jm020875j
Rattus norvegicus Hippocampus Activity 57.0 % 10.1021/jm801180p
Rattus norvegicus Rattus norvegicus IC50 7000.0 nM 10.1016/0960-894X(95)00392-7
Rattus norvegicus Rattus norvegicus Inhibition 93.0 % 10.1021/jm401881q
Rattus norvegicus Rattus norvegicus MED 30.0 mg kg-1 10.1021/jm000155h
Rattus norvegicus Rattus norvegicus MED 60.0 mg kg-1 10.1021/jm000155h
Rattus norvegicus Sodium channel alpha subunits; brain (Types I, II, III) Block nan None 10.1016/0960-894X(95)00392-7
Rattus norvegicus Sodium channel alpha subunits; brain (Types I, II, III) IC50 17850.0 nM 10.1021/jm020875j
Rattus norvegicus Sodium channel alpha subunits; brain (Types I, II, III) Inhibition nan % 10.1021/jm020875j
Rattus norvegicus Sodium channel alpha subunits; brain (Types I, II, III) Ki 4000.0 nM l-1 hr-1 10.1021/jm020875j
Rattus norvegicus Sodium channel protein type II alpha subunit IC50 2550.0 nM 10.1021/jm980134b
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 5.12 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.21 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 19.21 % 10.21203/rs.3.rs-23951/v1
None NON-PROTEIN TARGET Potency 66.8 nM None
None NON-PROTEIN TARGET Potency 11875.4 nM None
None NON-PROTEIN TARGET Potency 14950.2 nM None
None No relevant target LogD 3.39 None 10.1021/jm980134b
None Unchecked IC50 500.0 nM 10.1021/jm801180p
None Unchecked IC50 3860.0 nM 10.1016/0960-894X(95)00392-7
None Unchecked IC50 5300.0 nM 10.1021/jm000155h
None Unchecked IC50 21000.0 nM 10.1021/jm801180p
None Unchecked Inhibition 66.0 % 10.1021/jm980134b

Metabolism Information