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Compound Detail

CHEMBL2443129

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COc1cc(-c2ccccc2)ccc1N1CCC2(CCN(Cc3ncccc3C)CC2)C1=O

Basic Information

ChEMBL ID CHEMBL2443129
Phase Preclinical
Structure Type MOL
InChI Key HSLVPTDERCUBDU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
5.08
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N3O2
MW 441.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 8.1 8.1 7.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 7.943 nM 8.1 Inhibition of PHD2 (unknown origin) by HTRF assay 24055079

Literature References

PubMed DOI Target Context # Activities
24055079 10.1016/j.bmc.2013.08.046 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine