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Compound Detail

CHEMBL1795430

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CC1(C)Oc2cc(OC(=O)c3cccc(C#N)c3)ccc2CC1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1795430
Phase Preclinical
Structure Type MOL
InChI Key OSAHOUFBMXGQCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
2.85
ALogP
5
HBA
1
HBD
79.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO4
MW 323.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
21481991 10.1016/j.ejmech.2011.03.022 Hypoxia-inducible factor 1-alpha 1
21481991 10.1016/j.ejmech.2011.03.022 ADMET 1

Data from ChEMBL 36 via Core Engine