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Compound Detail

CHEMBL3359148

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C#CCOC(=O)c1ccc(O)c(NC(=O)COc2ccccc2C2(C(F)(F)F)N=N2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359148
Phase Preclinical
Structure Type MOL
InChI Key NZYSOVOOHVAMML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.3
MW (Da)
3.38
ALogP
7
HBA
2
HBD
109.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F3N3O5
MW 433.34
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
25356789 10.1021/jm501241g Malate dehydrogenase, mitochondrial 2
25356789 10.1021/jm501241g Hypoxia-inducible factor 1-alpha 1

Data from ChEMBL 36 via Core Engine