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Compound Detail

CHEMBL2443222

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Cc1cc(CCC(=O)O)cnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2443222
Phase Preclinical
Structure Type MOL
InChI Key AKSWRCRVZRGSKR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
5.09
ALogP
4
HBA
1
HBD
73.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33N3O3
MW 483.61
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 1.0 nM 9.0 Inhibition of PHD2 (unknown origin) by HTRF assay 24055079

Literature References

PubMed DOI Target Context # Activities
24055079 10.1016/j.bmc.2013.08.046 Mus musculus 2
24055079 10.1016/j.bmc.2013.08.046 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine