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Compound Detail

CHEMBL1783635

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COc1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1OC

Basic Information

ChEMBL ID CHEMBL1783635
Phase Preclinical
Structure Type MOL
InChI Key NZNCZIIKJAMCTP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
4.96
ALogP
4
HBA
3
HBD
71.6
PSA (Ų)
0.54
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 C22H23N3O3
MW 377.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
IC50 5.06 5.06 8620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19435661 10.1016/j.bmcl.2009.04.122 Hypoxia-inducible factor 1-alpha 3

Data from ChEMBL 36 via Core Engine