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Compound Detail

CHEMBL241892

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CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(-c4nnn[nH]4)ccc32)cc1

Basic Information

ChEMBL ID CHEMBL241892
Phase Preclinical
Structure Type MOL
InChI Key MQXCQRXNCXHPDG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
5.37
ALogP
6
HBA
1
HBD
85.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N5O2
MW 445.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosolic phospholipase A2
CHEMBL3816
IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17320401 10.1016/j.bmc.2007.02.016 Cytosolic phospholipase A2 1

Data from ChEMBL 36 via Core Engine