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Compound Detail

CHEMBL2159153

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NNC(=O)CCCP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2159153
Phase Preclinical
Structure Type MOL
InChI Key WHSDCWUSGOKBQR-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

182.1
MW (Da)
-1.07
ALogP
3
HBA
4
HBD
112.7
PSA (Ų)
0.19
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 C4H11N2O4P
MW 182.12
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -0.44

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
23025997 10.1016/j.bmcl.2012.09.021 Unchecked 2

Data from ChEMBL 36 via Core Engine