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Compound Detail

CHEMBL26797

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Basic Information

ChEMBL ID CHEMBL26797
Phase Preclinical
Structure Type MOL
InChI Key OSDPKZWVCQRSBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

120.2
MW (Da)
-1.54
ALogP
4
HBA
3
HBD
67.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H12N2O2
MW 120.15
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 0.76

Activity Summary

IC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ornithine decarboxylase
CHEMBL3511
IC50 5.72 5.72 1900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ornithine decarboxylase IC50 = 1900.0 nM 5.72 Inhibitory activity against Rat liver ornithine decarboxylase (ODC) 1573631

Literature References

PubMed DOI Target Context # Activities
1573631 10.1021/jm00086a003 Ornithine decarboxylase 1
1573631 10.1021/jm00086a003 T-24 1

Data from ChEMBL 36 via Core Engine