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Compound Detail

CHEMBL323799

PHOSPHOHYDANTOCIDIN
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O=C1NC(=O)[C@@]2(N1)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323799
Name PHOSPHOHYDANTOCIDIN
Phase Preclinical
Structure Type MOL
InChI Key HVXIMXHBUJADCC-GTBMBKLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.1
MW (Da)
-3.25
ALogP
7
HBA
6
HBD
174.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H11N2O9P
MW 298.14
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 1.82

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylosuccinate synthetase isozyme 2
CHEMBL4875
 IC50 6.17 6.17 675.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenylosuccinate synthetase isozyme 2 IC50 = 675.0 nM 6.17 Inhibitory concentration against Adenylosuccinate synthetase 15214773

Literature References

PubMed DOI Target Context # Activities
10869200 10.1021/np990590i Unchecked 2
15214773 10.1021/jm040031v Adenylosuccinate synthetase isozyme 2 1

Data from ChEMBL 36 via Core Engine