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Compound Detail

CHEMBL36648

LONAPALENE
🧪 Phase II
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🧪 Phase II
COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36648
Name LONAPALENE
Phase Phase II
Structure Type MOL
InChI Key IFWMVQUGSGWCRP-UHFFFAOYSA-N

Known Names

Lonapalene Lonapaleno RS-43179
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

338.7
MW (Da)
3.36
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1986

Extended Properties

Molecular Formula C16H15ClO6
MW 338.74
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.22

Activity Summary

IC50 7 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase
CHEMBL2980
 IC50 6.3 6.3 500.0 2
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL312
 IC50 6.3 6.1967 500.0 3
HaCaT
CHEMBL614392
 IC50 5.5 5.5 3200.0 1
Bile salt export pump
CHEMBL6020
 IC50 4.84 4.84 14390.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 500.0 nM 6.3 The compound was tested for inhibitory activity against 5-Lipoxygenase in rat RB... 1635053
Arachidonate 5-lipoxygenase IC50 = 500.0 nM 6.3 Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosyn... 8258834
Arachidonate 5-lipoxygenase IC50 = 500.0 nM 6.3 Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytes 8201600
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 700.0 nM 6.16 Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic ... 2104936
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 740.0 nM 6.13 Inhibitory activity against 5-lipoxygenase of RBL-1 cell line 1507204
HaCaT IC50 = 3200.0 nM 5.5 Antiproliferative activity against HaCaT cells 8201600
Bile salt export pump IC50 = 14390.0 nM 4.84 Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21... 22961681

Literature References

PubMed DOI Target Context # Activities
1507204 10.1021/jm00095a009 Mus musculus 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
2104936 10.1021/jm00163a058 Mus musculus 2
8258834 10.1021/jm00077a015 Arachidonate 5-lipoxygenase 2
1507204 10.1021/jm00095a009 Cyclooxygenase 1
22961681 10.1124/dmd.112.047068 Bile salt export pump 1
8201600 10.1021/jm00037a017 HaCaT 1
8201600 10.1021/jm00037a017 Liposome 1
8201600 10.1021/jm00037a017 Unchecked 1
8201600 10.1021/jm00037a017 Arachidonate 5-lipoxygenase 1
8258834 10.1021/jm00077a015 Unchecked 1
8258834 10.1021/jm00077a015 ADMET 1
1507204 10.1021/jm00095a009 Polyunsaturated fatty acid 5-lipoxygenase 1
3016268 10.1021/jm00158a031 No relevant target 1
1507204 10.1021/jm00095a009 Phospholipase A2, major isoenzyme 1
1635053 10.1021/jm00092a001 Polyunsaturated fatty acid 5-lipoxygenase 1
2104936 10.1021/jm00163a058 Cyclooxygenase 1
2104936 10.1021/jm00163a058 Polyunsaturated fatty acid 5-lipoxygenase 1
3141623 10.1021/jm00119a013 Mus musculus 1
3016268 10.1021/jm00158a031 ADMET 1

Data from ChEMBL 36 via Core Engine