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Compound Detail

CHEMBL1783637

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COC(=O)c1ccc(OC)c(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1

Basic Information

ChEMBL ID CHEMBL1783637
Phase Preclinical
Structure Type MOL
InChI Key RMSVJOQSANKEHX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
4.74
ALogP
5
HBA
3
HBD
88.7
PSA (Ų)
0.49
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 C23H23N3O4
MW 405.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
IC50 4.66 4.66 22100.0 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 1

Data from ChEMBL 36 via Core Engine