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Compound Detail

CHEMBL3115311

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O=C(Cc1ccc2ccccc2c1)Nc1cnc(-n2cccn2)nc1O

Basic Information

ChEMBL ID CHEMBL3115311
Phase Preclinical
Structure Type MOL
InChI Key VGOWQMKHVULTGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.70
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N5O2
MW 345.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 0.7 nM 9.15 Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cel... 23977883

Literature References

PubMed DOI Target Context # Activities
23977883 10.1021/jm400386j Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine