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Compound Detail

CHEMBL423835

ZM-211965
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CCC(OC)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423835
Name ZM-211965
Phase Preclinical
Structure Type MOL
InChI Key XYRDHZXSQUWVCD-UHFFFAOYSA-N
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
6.18
ALogP
4
HBA
0
HBD
31.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23NO2S
MW 389.52
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.36

Activity Summary

IC50 12 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
 IC50 8.36 6.9733 4.4 3
Mus musculus
CHEMBL375
 IC50 8.1 8.1 8.0 1
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL5211
 IC50 8.1 8.1 8.0 1
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
 IC50 7.0 6.604 100.0 5
Rattus norvegicus
CHEMBL376
 IC50 6.52 6.52 300.0 1
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL312
 IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 4.4 nM 8.36 In vitro inhibition of LTB4 formation in human peripheral blood polymorphonuclea... 8120869
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 8.0 nM 8.1 Inhibition of 5-lipoxygenase in mouse macrophages. 1648621
Mus musculus IC50 = 8.0 nM 8.1 In vitro inhibition of LTC4 synthesis in plasma free mouse macrophages. 1648621
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 100.0 nM 7.0 Compound was tested for the inhibition of 5-lipoxygenase (5-Lpo) in guinea pig. 1648621
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 150.0 nM 6.82 In vitro potency against human 5-Lipoxygenase 8120869
Rattus norvegicus IC50 = 300.0 nM 6.52 In vitro inhibition of LTB4 synthesis in rat whole blood. 1648621
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 400.0 nM 6.4 Inhibition of 5-lipoxygenase from human whole blood 8289184
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 400.0 nM 6.4 Inhibition of 5-lipoxygenase in human whole blood. 1648621
Homo sapiens IC50 = 400.0 nM 6.4 In vitro inhibition of LTB4 synthesis in human whole blood. 1648621
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 400.0 nM 6.4 In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiti... 1321908
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 500.0 nM 6.3 Compound was tested for the inhibition of 5-lipoxygenase (5-Lpo) in rat whole bl... 1648621
Homo sapiens IC50 = 700.0 nM 6.16 In vitro inhibition of LTB4 formation in human whole blood(HWB) 8120869

Literature References

PubMed DOI Target Context # Activities
1648621 10.1021/jm00111a038 Polyunsaturated fatty acid 5-lipoxygenase 4
1648621 10.1021/jm00111a038 Rattus norvegicus 3
1648621 10.1021/jm00111a038 Mus musculus 2
1648621 10.1021/jm00111a038 Homo sapiens 2
8120869 10.1021/jm00030a010 Homo sapiens 2
8289184 10.1021/jm00027a014 Polyunsaturated fatty acid 5-lipoxygenase 1
8120869 10.1021/jm00030a010 Polyunsaturated fatty acid 5-lipoxygenase 1
1321908 10.1021/jm00092a010 Polyunsaturated fatty acid 5-lipoxygenase 1
10514305 10.1021/np990092+ Unchecked 1
10514305 10.1021/np990092+ Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine