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Compound Detail

CHEMBL1807083

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CC(=O)Oc1ccc(/C=C/C(=O)N(/N=N/c2cccc(F)c2)c2cccc(F)c2)cc1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807083
Phase Preclinical
Structure Type MOL
InChI Key OHYMJZAAXCBICH-BEMFQAOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.4
MW (Da)
5.56
ALogP
7
HBA
0
HBD
97.6
PSA (Ų)
0.15
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19F2N3O5
MW 479.44
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.50

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