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Compound Detail

CHEMBL5594247

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Cn1cc(CNC(=O)c2ncc3nc(N4CCOCC4)ccc3c2O)cn1

Basic Information

ChEMBL ID CHEMBL5594247
Phase Preclinical
Structure Type MOL
InChI Key USUOTLHCUXULAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
0.84
ALogP
8
HBA
2
HBD
105.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O3
MW 368.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.01

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.54 6.54 291.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 291.0 nM 6.54 Inhibition of PHD2 (unknown origin) preincubated for 30 mins followed by substra... 38189253

Literature References

PubMed DOI Target Context # Activities
38189253 10.1021/acs.jmedchem.3c01932 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine