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Compound Detail

CHEMBL270508

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Fc1cccc(Cl)c1-c1nc2c(cc(-c3ccc(Cl)cc3)c3ccccc32)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270508
Phase Preclinical
Structure Type MOL
InChI Key BBFXIRRPPFPTQD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.3
MW (Da)
7.50
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H13Cl2FN2
MW 407.28
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.14 7.14 73.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 73.0 nM 7.14 Inhibition of human recombinant mPGES1 18029174

Literature References

PubMed DOI Target Context # Activities
18029174 10.1016/j.bmcl.2007.10.033 Unchecked 1

Data from ChEMBL 36 via Core Engine