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Compound Detail

CHEMBL220659

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COc1ccc(CCNC(=O)c2ccc3cccnc3c2O)cc1

Basic Information

ChEMBL ID CHEMBL220659
Phase Preclinical
Structure Type MOL
InChI Key TVFYZYXFMWSNAX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.92
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.76
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 C19H18N2O3
MW 322.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 5.16 5.16 6900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 6900.0 nM 5.16 Inhibition of human EGLN1 16931007

Literature References

PubMed DOI Target Context # Activities
16931007 10.1016/j.bmcl.2006.08.040 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine