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Compound Detail

CHEMBL1783624

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O=C(Nc1ccccc1)Nc1ccc(NCc2ccc(O)cc2)cc1

Basic Information

ChEMBL ID CHEMBL1783624
Phase Preclinical
Structure Type MOL
InChI Key PJSRBONDLKAFBJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
4.65
ALogP
3
HBA
4
HBD
73.4
PSA (Ų)
0.55
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 C20H19N3O2
MW 333.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 4.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
IC50 4.45 4.45 35500.0 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