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Compound Detail

CHEMBL2443115

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Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccc(CC(=O)O)cc3)cc1)C2=O

Basic Information

ChEMBL ID CHEMBL2443115
Phase Preclinical
Structure Type MOL
InChI Key CLRIWODPUANIKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
4.70
ALogP
4
HBA
1
HBD
73.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N3O3
MW 469.59
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 7.8 7.8 15.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 15.85 nM 7.8 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