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Compound Detail

CHEMBL1161997

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O=C(CC(O)P(=O)(O)O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1161997
Phase Preclinical
Structure Type MOL
InChI Key IXTLPXIJEWXYCB-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

185.1
MW (Da)
-1.62
ALogP
4
HBA
5
HBD
127.1
PSA (Ų)
0.20
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 C3H8NO6P
MW 185.07
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.43

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
17088060 10.1016/j.bmcl.2006.10.030 Unchecked 3
17088060 10.1016/j.bmcl.2006.10.030 Triosephosphate isomerase 1

Data from ChEMBL 36 via Core Engine