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Compound Detail

CHEMBL4073732

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COC(=O)c1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4073732
Phase Preclinical
Structure Type MOL
InChI Key DBCMYCSOMJQUIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
3.51
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F3NO4
MW 353.30
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
28991459 10.1021/acs.jmedchem.7b01231 Malate dehydrogenase, mitochondrial 1
28991459 10.1021/acs.jmedchem.7b01231 Malate dehydrogenase, cytoplasmic 1

Data from ChEMBL 36 via Core Engine