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Compound Detail

CHEMBL330654

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O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330654
Phase Preclinical
Structure Type MOL
InChI Key PAJDFKWSVLOENY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.1
MW (Da)
4.97
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.80
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 C14H8Cl2F3NO2
MW 350.12
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
9685233 10.1021/jm9803572 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1

Data from ChEMBL 36 via Core Engine