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Compound Detail

CHEMBL89974

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

Basic Information

ChEMBL ID CHEMBL89974
Phase Preclinical
Structure Type MOL
InChI Key RWGCHLNCPOOTPA-AWQFTUOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.2
MW (Da)
3.51
ALogP
2
HBA
2
HBD
67.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11F6N3O
MW 327.23
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
12061873 10.1021/jm010459j Cruzipain 1

Data from ChEMBL 36 via Core Engine