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Compound Detail

CHEMBL5437125

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Cc1ccc(C(=O)N2CCC(c3cnc(C(=O)NCC(=O)O)c(O)c3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL5437125
Phase Preclinical
Structure Type MOL
InChI Key KOJXTUCOTOBKJL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
1.93
ALogP
5
HBA
3
HBD
119.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O5
MW 397.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 7.46 7.46 34.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 34.58 nM 7.46 Binding affinity to full length PHD2 (181 to 426 residues) (unknown origin) by f... 37367818

Literature References

PubMed DOI Target Context # Activities
37367818 10.1021/acs.jmedchem.3c00231 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine