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Compound Detail

CHEMBL1232634

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O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2ccncc2)nn(-c2ccc(F)cc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1232634
Phase Preclinical
Structure Type MOL
InChI Key SZWDNHQJXXWUBD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.4
MW (Da)
4.38
ALogP
5
HBA
1
HBD
76.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16F4N4O2
MW 468.41
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.92

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase p38
CHEMBL2094115
 IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAP kinase p38 IC50 = 2400.0 nM 5.62 Inhibition of MAPK p38 (unknown origin) 29133046

Literature References

PubMed DOI Target Context # Activities
29133046 10.1016/j.ejmech.2017.10.061 MAP kinase p38 1

Data from ChEMBL 36 via Core Engine