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Compound Detail

CHEMBL27045

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Cc1ncc(COP(=O)(O)O)c(/C=N/OCC(O)CN)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL27045
Phase Preclinical
Structure Type MOL
InChI Key SPEKXGXHTNOCMS-LNKIKWGQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.2
MW (Da)
-0.62
ALogP
8
HBA
5
HBD
167.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N3O7P
MW 335.25
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.30

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ornithine decarboxylase
CHEMBL3511
 IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ornithine decarboxylase IC50 = 24000.0 nM 4.62 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