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Compound Detail

CHEMBL1408031

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O=C1C=C(Nc2nc(O)cc(C(=O)O)n2)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1408031
Phase Preclinical
Structure Type MOL
InChI Key BCRIVNNGVIEOOU-UHFFFAOYSA-N

Known Names

NSC-125252
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

311.2
MW (Da)
1.10
ALogP
7
HBA
3
HBD
129.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9N3O5
MW 311.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.04

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
M-phase inducer phosphatase 2
CHEMBL4804
 IC50 5.0 5.0 9900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
M-phase inducer phosphatase 2 IC50 = 9900.0 nM 5.0 Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expres... 22524450

Literature References

PubMed DOI Target Context # Activities
22524450 10.1021/jm201624h M-phase inducer phosphatase 2 3

Data from ChEMBL 36 via Core Engine