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Compound Detail

CHEMBL1795450

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COc1cccc(-c2ccc(C(=O)Oc3ccc4c(c3)OC(C(C)(C)O)C4)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1795450
Phase Preclinical
Structure Type MOL
InChI Key FMQPLBJAVRZZGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
4.66
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.50
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 C25H24O5
MW 404.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.54

Literature References

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

Data from ChEMBL 36 via Core Engine