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Compound Detail

CHEMBL539409

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O=C(Nc1ccc2cc3ccc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3nc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539409
Phase Preclinical
Structure Type MOL
InChI Key QMPZPNZBMAIRSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

689.5
MW (Da)
9.97
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.15
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H15F12N3O2
MW 689.46
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
19217190 10.1016/j.ejmech.2009.01.010 CHO 2
19217190 10.1016/j.ejmech.2009.01.010 ADMET 2
19217190 10.1016/j.ejmech.2009.01.010 CHO-K1 2

Data from ChEMBL 36 via Core Engine