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Compound Detail

CHEMBL2443120

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Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(OC(C)C)cc1)C2=O

Basic Information

ChEMBL ID CHEMBL2443120
Phase Preclinical
Structure Type MOL
InChI Key VLNZDYWRAHVWHB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
4.20
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N3O2
MW 393.53
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 5.9 5.9 1258.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 1258.93 nM 5.9 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