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Compound Detail

CHEMBL338180

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FC(F)(F)c1cc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338180
Phase Preclinical
Structure Type MOL
InChI Key NMHJJEKVRLBAEG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.4
MW (Da)
5.37
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22F6N4O
MW 484.44
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8831759 10.1021/jm960415o MAP kinase p38 1

Data from ChEMBL 36 via Core Engine