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Compound Detail

CHEMBL590119

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NC(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N\O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL590119
Phase Preclinical
Structure Type MOL
InChI Key DJAABZKOFHHKCN-OWOJBTEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
3.48
ALogP
2
HBA
2
HBD
58.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8F6N2O
MW 298.19
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
19945872 10.1016/j.bmcl.2009.10.113 Transient receptor potential cation channel subfamily A member 1 3
30523084 10.1126/science.aat9446 HepG2-CD81 2

Data from ChEMBL 36 via Core Engine