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Compound Detail

CHEMBL26418

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Basic Information

ChEMBL ID CHEMBL26418
Phase Preclinical
Structure Type MOL
InChI Key ARUQPLWGHMJTRI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

146.2
MW (Da)
-0.99
ALogP
4
HBA
3
HBD
67.5
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H14N2O2
MW 146.19
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.24

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ornithine decarboxylase
CHEMBL3511
IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ornithine decarboxylase IC50 = 21000.0 nM 4.68 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