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Compound Detail

CHEMBL357982

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O=P(O)(O)C(O)c1cccc(C(O)P(=O)(O)O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL357982
Phase Preclinical
Structure Type MOL
InChI Key OZMKTKHDSSBNMW-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.1
MW (Da)
-0.58
ALogP
5
HBA
6
HBD
168.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H11NO8P2
MW 299.11
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.02

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
9871609 10.1016/s0960-894x(98)00059-6 Phosphoglycerate kinase 3
9871609 10.1016/s0960-894x(98)00059-6 No relevant target 2

Data from ChEMBL 36 via Core Engine