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Compound Detail

CHEMBL3359143

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C#CCOc1ccc(C(=O)c2cccc(NC(=O)COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359143
Phase Preclinical
Structure Type MOL
InChI Key LNRSPIMWWUBMDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
6.41
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H33NO4
MW 519.64
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.04

Literature References

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

Data from ChEMBL 36 via Core Engine