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Compound Detail

CHEMBL5572863

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O=C(NCc1ccc(O)nc1)c1ncc2nc(N3CCOCC3)ccc2c1O

Basic Information

ChEMBL ID CHEMBL5572863
Phase Preclinical
Structure Type MOL
InChI Key ZQCWSMKXRIETBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
1.20
ALogP
8
HBA
3
HBD
120.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N5O4
MW 381.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.53 6.53 297.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 297.0 nM 6.53 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