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Compound Detail

CHEMBL2443218

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O=C1N(c2ccc(-c3ccccc3)cc2)CCC12CCN(Cc1ncccc1Cl)CC2

Basic Information

ChEMBL ID CHEMBL2443218
Phase Preclinical
Structure Type MOL
InChI Key SPFNVSOMAOAENZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.0
MW (Da)
5.42
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26ClN3O
MW 431.97
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.7 6.7 199.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 199.53 nM 6.7 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