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Compound Detail

CHEMBL3359146

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C#CCOc1ccc(C23CC4CC(CC(C(=O)OCc5ccc(C6(C(F)(F)F)N=N6)cc5)(C4)C2)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359146
Phase Preclinical
Structure Type MOL
InChI Key VJBCOABIVIOHFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.5
MW (Da)
6.46
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.32
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 C29H27F3N2O3
MW 508.54
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.56

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