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Compound Detail

CHEMBL1807082

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COc1cc(/C=C/C(=O)N(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)ccc1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807082
Phase Preclinical
Structure Type MOL
InChI Key XBNVYPUQWSYEPS-IIEJRAKUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

620.3
MW (Da)
8.71
ALogP
6
HBA
0
HBD
80.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H17Cl2F6N3O4
MW 620.33
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
21550697 10.1016/j.ejmech.2011.04.024 No relevant target 1
21550697 10.1016/j.ejmech.2011.04.024 HeLa 1

Data from ChEMBL 36 via Core Engine