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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK323411

Synonym: None

IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide

Structure

SMILES: CN(C)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=CC=CC=C4C4=CC=C(Cl)C=C4)CC3)C=C2)C=C1[N+](=O)[O-]

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InChI: InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1

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InChIKey: HPLNQCPCUACXLM-PGUFJCEWSA-N

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Reference

PubChem CID: 11228183

CAS: 852808-04-9

NPASS: NPC482493

Properties Information

Molecule Weight: 813.4460000000001

TPSA？: 128.13

MolLogP？: 7.880600000000009

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Beta-casein Ki 1.0 nM 10.1016/j.bmc.2014.04.019
Homo sapiens Apoptosis regulator Bcl-2 Activity nan None 10.1021/jm300608w
Homo sapiens Apoptosis regulator Bcl-2 EC50 8.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 EC50 8.3 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 EC50 14.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 EC50 30.0 nM 10.1016/j.ejmech.2012.09.012
Homo sapiens Apoptosis regulator Bcl-2 EC50 50.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 EC50 130.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 EC50 150.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 EC50 220.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 EC50 850.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 IC50 1.0 nM 10.1016/j.bmc.2012.05.079
Homo sapiens Apoptosis regulator Bcl-2 IC50 2.0 nM 10.1021/jm300178u
Homo sapiens Apoptosis regulator Bcl-2 IC50 3.6 nM 10.1021/acsmedchemlett.2c00309
Homo sapiens Apoptosis regulator Bcl-2 IC50 6.1 nM 10.1021/jm101596e
Homo sapiens Apoptosis regulator Bcl-2 IC50 7.0 nM 10.1021/jm400556w
Homo sapiens Apoptosis regulator Bcl-2 IC50 20.0 nM 10.1021/ml300321d
Homo sapiens Apoptosis regulator Bcl-2 IC50 72.0 nM 10.1021/acsmedchemlett.2c00309
Homo sapiens Apoptosis regulator Bcl-2 Inhibition nan % 10.1021/acs.jmedchem.5b01913
Homo sapiens Apoptosis regulator Bcl-2 Kd 0.6 nM 10.1021/ml300321d
Homo sapiens Apoptosis regulator Bcl-2 Ki 0.6 nM 10.1021/jm300178u
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1016/j.bmc.2012.11.008
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1016/j.bmc.2014.04.019
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1016/j.bmcl.2011.11.101
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1016/j.bmcl.2016.09.061
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1016/j.ejmech.2012.02.036
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1016/j.ejmech.2012.09.012
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1016/j.ejmech.2019.01.084
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1021/acs.jmedchem.5b01888
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1021/acs.jmedchem.7b00717
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1021/jm301504b
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1021/jm800669s
Homo sapiens Apoptosis regulator Bcl-2 Ki 1.0 nM 10.1073/pnas.0709443104
Homo sapiens Apoptosis regulator Bcl-2 Ki 8.0 nM 10.1021/jm100189a
Homo sapiens Apoptosis regulator Bcl-2 Ki 40.0 nM 10.1039/d2md00095d
Homo sapiens Apoptosis regulator Bcl-2 Ki 120.0 nM 10.1039/C5MD00582E
Homo sapiens Apoptosis regulator Bcl-2 Ki 283.0 nM 10.1016/j.ejmech.2019.05.019
Homo sapiens Apoptosis regulator Bcl-2 TGI 60.0 % 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2 TGI 90.0 % 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer EC50 20.0 nM 10.1021/ml300095a
Homo sapiens Apoptosis regulator Bcl-W IC50 1.0 nM 10.1016/j.bmc.2012.05.079
Homo sapiens Apoptosis regulator Bcl-W IC50 40.0 nM 10.1021/jm101596e
Homo sapiens Apoptosis regulator Bcl-W IC50 66.0 nM 10.1021/jm400556w
Homo sapiens Apoptosis regulator Bcl-W Ki 1.0 nM 10.1016/j.bmc.2014.04.019
Homo sapiens Apoptosis regulator Bcl-W Ki 1.0 nM 10.1016/j.ejmech.2012.09.012
Homo sapiens Apoptosis regulator Bcl-W Ki 1.0 nM 10.1016/j.ejmech.2019.01.084
Homo sapiens Apoptosis regulator Bcl-W Ki 1.0 nM 10.1021/acs.jmedchem.5b01888
Homo sapiens Apoptosis regulator Bcl-W Ki 285.0 nM 10.1016/j.ejmech.2019.05.019
Homo sapiens Apoptosis regulator Bcl-X Activity nan None 10.1016/j.bmc.2012.02.022
Homo sapiens Apoptosis regulator Bcl-X Activity nan None 10.1021/jm300608w
Homo sapiens Apoptosis regulator Bcl-X EC50 10.0 nM 10.1016/j.ejmech.2012.09.012
Homo sapiens Apoptosis regulator Bcl-X EC50 29.99 nM 10.1016/j.ejmech.2010.07.042
Homo sapiens Apoptosis regulator Bcl-X EC50 30.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-X IC50 0.5 nM 10.1021/jm400556w
Homo sapiens Apoptosis regulator Bcl-X IC50 1.0 nM 10.1016/j.bmc.2012.05.079
Homo sapiens Apoptosis regulator Bcl-X IC50 3.0 nM 10.1021/jm101596e
Homo sapiens Apoptosis regulator Bcl-X IC50 6.0 nM 10.1016/j.bmc.2015.02.060
Homo sapiens Apoptosis regulator Bcl-X IC50 6.0 nM 10.1021/jm300178u
Homo sapiens Apoptosis regulator Bcl-X IC50 6.0 nM 10.1021/jm300608w
Homo sapiens Apoptosis regulator Bcl-X IC50 14.0 nM 10.1021/acs.jmedchem.9b00983
Homo sapiens Apoptosis regulator Bcl-X IC50 14.0 nM 10.1021/jm400556w
Homo sapiens Apoptosis regulator Bcl-X IC50 60.0 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-X IC50 64.0 nM 10.1021/jm100009z
Homo sapiens Apoptosis regulator Bcl-X Ka 7.9 10'5/M/s 10.1021/jm101596e
Homo sapiens Apoptosis regulator Bcl-X Kd 0.13 nM 10.1021/jm400556w
Homo sapiens Apoptosis regulator Bcl-X Kd 0.37 nM 10.1021/jm101596e
Homo sapiens Apoptosis regulator Bcl-X Ki 0.5 nM 10.1016/j.ejmech.2012.02.036
Homo sapiens Apoptosis regulator Bcl-X Ki 0.5 nM 10.1021/jm061152t
Homo sapiens Apoptosis regulator Bcl-X Ki 0.5 nM 10.1021/jm400556w
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1016/j.bmc.2014.04.019
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1016/j.bmcl.2011.11.101
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1016/j.bmcl.2016.09.061
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1016/j.ejmech.2012.09.012
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1016/j.ejmech.2019.01.084
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1021/acs.jmedchem.5b01888
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1021/acs.jmedchem.7b00717
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1021/jm300178u
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1021/jm300608w
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1021/jm301504b
Homo sapiens Apoptosis regulator Bcl-X Ki 1.0 nM 10.1021/np500170v
Homo sapiens Apoptosis regulator Bcl-X Ki 1.4 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 1.5 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 3.4 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 4.5 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 5.8 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 21.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 30.0 nM 10.1021/jm100189a
Homo sapiens Apoptosis regulator Bcl-X Ki 40.0 nM 10.1039/d2md00095d
Homo sapiens Apoptosis regulator Bcl-X Ki 58.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 64.0 nM 10.1039/C5MD00582E
Homo sapiens Apoptosis regulator Bcl-X Ki 73.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 160.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 188.4 nM 10.1021/jm9005059
Homo sapiens Apoptosis regulator Bcl-X Ki 190.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 270.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 284.0 nM 10.1016/j.ejmech.2019.05.019
Homo sapiens Apoptosis regulator Bcl-X Ki 290.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 300.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Apoptosis regulator Bcl-X Ki 380.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Aspartyl/asparaginyl beta-hydroxylase IC50 2920.0 nM 10.1016/j.bmc.2020.115675
Homo sapiens Aspartyl/asparaginyl beta-hydroxylase IC50 2990.0 nM 10.1016/j.bmc.2020.115675
Homo sapiens Aspartyl/asparaginyl beta-hydroxylase IC50 3380.0 nM 10.1016/j.bmc.2020.115675
Homo sapiens Aspartyl/asparaginyl beta-hydroxylase IC50 4470.0 nM 10.1016/j.bmc.2020.115675
Homo sapiens Aspartyl/asparaginyl beta-hydroxylase Inhibition nan % 10.1016/j.bmc.2020.115675
Homo sapiens Bcl2-antagonist of cell death (BAD) Ki 0.6 nM 10.1038/nature06526
Homo sapiens Bcl2-antagonist of cell death (BAD) Ki 1.0 nM 10.1021/jm800669s
Homo sapiens Bcl-2-like protein 10 Ki 1.0 nM 10.1016/j.bmc.2014.04.019
Homo sapiens Bcl-2-related protein A1 EC50 nan None 10.1016/j.ejmech.2012.09.012
Homo sapiens Bcl-2-related protein A1 Kd 1000.0 nM 10.1016/j.bmcl.2011.06.134
Homo sapiens Bcl-2-related protein A1 Ki 20000.0 nM 10.1021/acs.jmedchem.5b01888
Homo sapiens Bcl-xL/BAK IC50 10.0 nM 10.1016/j.bmc.2010.07.029
Homo sapiens Bcl-xL/BAK IC50 57.0 nM 10.1021/acs.jnatprod.5b00915
Homo sapiens Bcl-xL/BAK Ki 1.0 nM 10.1021/acs.jnatprod.7b00494
Homo sapiens Bcl-xL/BAX IC50 23.0 nM 10.1016/j.bmc.2010.07.029
Homo sapiens Bcl-xL/Bcl-2-binding component 3 IC50 0.3 nM 10.1016/j.bmc.2010.07.029
Homo sapiens Bcl-xL/Bcl-2-like protein 11 IC50 2.0 nM 10.1016/j.bmc.2010.07.029
Homo sapiens Bcl-xL/BH3-interacting domain death agonist IC50 48.5 nM 10.1016/j.bmc.2010.07.029
Homo sapiens CCRF-CEM IC50 740.0 nM 10.1021/jm300515q
Homo sapiens CCRF-CEM Ratio IC50 0.2 None 10.1021/jm300515q
Homo sapiens CCRF-CEM Ratio IC50 0.3 None 10.1021/jm300515q
Homo sapiens CCRF-CEM Ratio IC50 2.2 None 10.1021/jm300515q
Homo sapiens DMS-53 Activity nan None 10.1021/acs.jmedchem.5b01913
Homo sapiens DU-145 IC50 27600.0 nM 10.1021/jm9005059
Homo sapiens HCT-116 Activity nan None 10.1021/acs.jmedchem.5b01913
Homo sapiens HCT-116 IC50 4060.0 nM 10.1021/jm9005059
Homo sapiens HCT-116 IC50 47700.0 nM 10.1016/j.bmcl.2011.11.101
Homo sapiens HeLa Activity nan None 10.1016/j.bmc.2012.02.022
Homo sapiens HepG2 IC50 relative 13200.0 nM 10.6019/EOS300108
Homo sapiens Histone deacetylase 6 Inhibition -14.35 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 1.58 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 IC50 760.0 nM 10.1021/jm300515q
Homo sapiens HL-60 Ratio IC50 1.5 None 10.1021/jm300515q
Homo sapiens HL-60 Ratio IC50 4.5 None 10.1021/jm300515q
Homo sapiens HL-60 Ratio IC50 4.9 None 10.1021/jm300515q
Homo sapiens HL-60 Ratio IC50 19.7 None 10.1021/jm300515q
Homo sapiens IM-9 Activity nan None 10.1016/j.ejmech.2012.09.012
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Activity nan None 10.1016/j.bmc.2012.02.022
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Activity nan None 10.1021/jm300608w
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 EC50 nan None 10.1016/j.ejmech.2012.09.012
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 1000.0 nM 10.1021/jm101596e
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 1000.0 nM 10.1021/jm300178u
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 1000.0 nM 10.1021/jm300608w
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 1000.0 nM 10.1039/C5MD00582E
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Ki 1.0 nM 10.1016/j.bmc.2014.04.019
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Ki 20000.0 nM 10.1016/j.bmcl.2016.09.061
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Ki 20000.0 nM 10.1016/j.ejmech.2012.02.036
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Ki 20000.0 nM 10.1021/acs.jmedchem.5b01888
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Ki 20800.0 nM 10.1021/np500170v
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Ki 100000.0 nM 10.1016/j.bmcl.2011.11.101
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Ki nan None 10.1039/d2md00095d
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist IC50 33000.0 nM 10.1021/acs.jnatprod.5b00915
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist Ki 20800.0 nM 10.1021/acs.jnatprod.7b00494
Homo sapiens Jurkat IC50 1380.0 nM 10.1021/jm9005059
Homo sapiens K562 FC 60.0 None 10.1016/j.ejmech.2018.01.076
Homo sapiens K562 IC50 16400.0 nM 10.1016/j.ejmech.2012.12.016
Homo sapiens K562 IC50 34700.0 nM 10.1021/jm300515q
Homo sapiens K562 Ratio IC50 2.3 None 10.1021/jm300515q
Homo sapiens K562 Ratio IC50 2.7 None 10.1021/jm300515q
Homo sapiens KB Activity 8.0 % 10.1073/pnas.0709443104
Homo sapiens KB Activity 9.0 % 10.1073/pnas.0709443104
Homo sapiens KB Activity 58.0 % 10.1073/pnas.0709443104
Homo sapiens KB Activity 72.0 % 10.1073/pnas.0709443104
Homo sapiens KB Activity nan None 10.1073/pnas.0709443104
Homo sapiens MCF7 EC50 4390.0 nM 10.1016/j.bmcl.2022.128731
Homo sapiens MCF7 IC50 21260.0 nM 10.1021/jm9005059
Homo sapiens MCL1-BAK1 complex IC50 50000.0 nM 10.1021/ml300095a
Homo sapiens MDA-MB-231 Activity nan None 10.1021/jm061400l
Homo sapiens MDA-MB-435 GI 55.43 % 10.1016/j.bmcl.2011.11.101
Homo sapiens MDA-MB-435 IC50 122940.0 nM 10.1016/j.bmcl.2011.11.101
Homo sapiens MOLT-4 Activity 0.1 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 0.4 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 1.4 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 2.5 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 2.6 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 5.4 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 8.6 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 11.6 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 40.7 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 47.4 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 83.1 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 Activity 96.0 % 10.1016/j.ejmech.2020.112186
Homo sapiens MOLT-4 EC50 622.0 nM 10.1021/acs.jmedchem.7b00717
Homo sapiens MOLT-4 IC50 227.0 nM 10.1016/j.ejmech.2020.112186
Homo sapiens NALM-6 IC50 nan None 10.1021/jm9005059
Homo sapiens NCI-H1417 IC50 130.0 nM 10.1021/jm300178u
Homo sapiens NCI-H1417 IC50 173.4 nM 10.1021/jm4001105
Homo sapiens NCI-H1417 IC50 412.0 nM 10.1021/jm300608w
Homo sapiens NCI-H146 Activity 50.0 % 10.1021/jm3010306
Homo sapiens NCI-H146 Activity nan None 10.1021/jm300608w
Homo sapiens NCI-H146 Activity nan None 10.1021/jm3010306
Homo sapiens NCI-H146 IC50 43.8 nM 10.1016/j.ejmech.2020.112186
Homo sapiens NCI-H187 IC50 137.7 nM 10.1021/jm4001105
Homo sapiens NCI-H1963 IC50 54.0 nM 10.1021/jm4001105
Homo sapiens NCI-H1963 IC50 59.0 nM 10.1021/jm300608w
Homo sapiens NCI-H460 IC50 8030.0 nM 10.1021/jm9005059
Homo sapiens NCI-H929 IC50 nan None 10.1016/j.ejmech.2018.01.100
Homo sapiens p53-binding protein Mdm-2 Inhibition nan % 10.1021/acs.jmedchem.5b01913
Homo sapiens Pyruvate kinase isozymes M1/M2 Inhibition nan % 10.1021/acs.jmedchem.1c00981
Homo sapiens Raji FC 60.0 None 10.1016/j.ejmech.2018.01.076
Homo sapiens Raji GI 42.52 % 10.1016/j.bmcl.2011.11.101
Homo sapiens Raji IC50 93490.0 nM 10.1016/j.bmcl.2011.11.101
Homo sapiens REH IC50 nan None 10.1021/jm9005059
Homo sapiens RS4-11 Activity nan None 10.1016/j.ejmech.2012.09.012
Homo sapiens RS4-11 EC50 24.0 nM 10.1021/acs.jmedchem.7b00717
Homo sapiens RS4-11 IC50 49.0 nM 10.1016/j.ejmech.2020.112186
Homo sapiens RS4-11 IC50 270.0 nM 10.1016/j.ejmech.2012.12.016
Homo sapiens RS4-11 IC50 330.0 nM 10.1016/j.ejmech.2018.01.100
Homo sapiens Toledo LD50 0.06 uM 10.1021/ml300321d
Mus musculus Apoptosis regulator Bcl-2 Ki 0.088 nM None
Mus musculus Bcl-2-like protein 1 Ki 0.08 nM None
Mus musculus FL5.12 EC50 220.0 nM 10.1021/jm061152t
Mus musculus Induced myeloid leukemia cell differentiation protein Mcl-1 homolog Kd 1000.0 nM 10.1016/j.bmcl.2011.06.134
Mus musculus MEF Activity 90.0 % 10.1021/acs.jmedchem.0c01771
Mus musculus MEF Activity nan None 10.1016/j.ejmech.2012.09.012
Mus musculus MEF Activity nan None 10.1021/acs.jmedchem.0c01771
Mus musculus MEF Activity nan None 10.1021/jm101596e
Mus musculus MEF EC50 2.03 nM 10.1021/jm101596e
Mus musculus MEF EC50 13.0 nM 10.1021/acs.jmedchem.0c01771
Mus musculus MEF EC50 51.0 nM 10.1021/jm101596e
Mus musculus MEF EC50 10000.0 nM 10.1021/jm101596e
Rattus norvegicus Rattus norvegicus AUC 227.77 ng.hr.mL-1 10.1021/jm800669s
Rattus norvegicus Rattus norvegicus Cmax 39.0 nM 10.1021/jm800669s
Rattus norvegicus Rattus norvegicus F 6.0 % 10.1021/jm800669s
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 5.525 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 6.88 % 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 -0.35 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.22 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 63.06 % 10.21203/rs.3.rs-23951/v1
None ADMET CL 9.55 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET F 20.0 % 10.1016/j.ejmech.2019.01.084
None ADMET IC50 242.0 nM 10.1016/j.ejmech.2020.112186
None ADMET T1/2 4.0 hr 10.1016/j.ejmech.2019.01.084
None Molecular identity unknown Activity 6.4 % 10.1021/acs.jmedchem.5b01913
None Molecular identity unknown Activity 7.1 % 10.1021/acs.jmedchem.5b01913
None Molecular identity unknown Activity 24.0 % 10.1021/acs.jmedchem.5b01913
None Molecular identity unknown Activity 26.0 % 10.1021/acs.jmedchem.5b01913
None Molecular identity unknown Activity 28.0 % 10.1021/acs.jmedchem.5b01913
None Molecular identity unknown Activity 32.0 % 10.1021/acs.jmedchem.5b01913
None Molecular identity unknown Activity 34.0 % 10.1021/acs.jmedchem.5b01913
None Molecular identity unknown Activity 40.0 % 10.1021/acs.jmedchem.5b01913
None NON-PROTEIN TARGET Activity nan None 10.1021/jm300608w
None NON-PROTEIN TARGET Activity nan None 10.1021/jm900472s
None NON-PROTEIN TARGET Activity nan None 10.1073/pnas.0709443104
None NON-PROTEIN TARGET EC50 4.0 nM 10.1021/jm400556w
None NON-PROTEIN TARGET EC50 7.7 nM 10.1021/jm800669s
None NON-PROTEIN TARGET EC50 30.0 nM 10.1021/jm800669s
None NON-PROTEIN TARGET EC50 80.0 nM 10.1021/jm400556w
None NON-PROTEIN TARGET EC50 87.0 nM 10.1021/jm800669s
None NON-PROTEIN TARGET EC50 5000.0 nM 10.1021/jm400556w
None NON-PROTEIN TARGET EC50 20000.0 nM 10.1021/jm400556w
None NON-PROTEIN TARGET IC50 37.0 nM 10.1021/jm300608w
None NON-PROTEIN TARGET IC50 97.0 nM 10.1021/jm300178u
None NON-PROTEIN TARGET IC50 970.0 nM 10.1016/j.bmcl.2016.09.061
None NON-PROTEIN TARGET IC50 4240.0 nM 10.1021/jm9005059
None NON-PROTEIN TARGET IC50 8680.0 nM 10.1021/jm9005059
None NON-PROTEIN TARGET IC50 25330.0 nM 10.1016/j.bmcl.2016.09.061
None NON-PROTEIN TARGET IC50 27350.0 nM 10.1016/j.bmcl.2016.09.061
None NON-PROTEIN TARGET IC50 46590.0 nM 10.1016/j.bmcl.2016.09.061
None NON-PROTEIN TARGET IC50 71160.0 nM 10.1016/j.bmcl.2016.09.061
None NON-PROTEIN TARGET Potency 7492.9 nM None
None NON-PROTEIN TARGET Potency 10583.9 nM None
None NON-PROTEIN TARGET Potency 11875.4 nM None
None NON-PROTEIN TARGET Potency 16774.4 nM None
None No relevant target Solubility 1.0 ug.mL-1 10.1021/jm100189a
None No relevant target Solubility 7000.0 nM 10.1021/ml300321d
None Unchecked Activity nan None 10.1016/j.ejmech.2012.09.012
None Unchecked EC50 4.5 nM 10.1021/jm100189a
None Unchecked FC 60.0 None 10.1016/j.ejmech.2018.01.076
None Unchecked IC50 0.25 nM 10.1021/acs.jmedchem.0c01771
None Unchecked IC50 2.0 nM 10.1021/jm300608w
None Unchecked IC50 4.0 nM 10.1021/acs.jmedchem.0c01771
None Unchecked IC50 6.0 nM 10.1016/j.bmcl.2016.03.032
None Unchecked IC50 12.0 nM 10.1021/acs.jmedchem.0c01771
None Unchecked IC50 1000.0 nM 10.1021/jm400556w
None Unchecked IC50 1400.0 nM 10.1016/j.ejmech.2018.01.100
None Unchecked IC50 10000.0 nM 10.1016/j.ejmech.2018.01.100
None Unchecked IC50 10000.0 nM 10.1021/jm400556w
None Unchecked IC50 12500.0 nM 10.1021/acs.jmedchem.0c01771
None Unchecked IC50 40000.0 nM 10.1021/acs.jmedchem.0c01771
None Unchecked Inhibition nan % 10.1016/j.ejmech.2012.02.036
None Unchecked Ki 0.6 nM 10.1021/jm300608w
None Unchecked Ki 10.0 nM 10.1016/j.bmcl.2011.06.134
None Unchecked Ki 60.0 nM 10.1016/j.bmcl.2011.06.134
None Unchecked Ratio 3.0 None 10.1039/d2md00095d
None Unchecked Ratio 3.2 None 10.1021/jm800669s
None Unchecked Ratio IC50 1.1 None 10.1016/j.ejmech.2020.112186
None Unchecked Ratio IC50 20.0 None 10.1021/acsmedchemlett.2c00309
None Unchecked Ratio Ki 1.0 None 10.1016/j.bmcl.2016.09.061

Metabolism Information