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Compound Detail

CHEMBL148780

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O=P(O)(O)Cc1cccc(C(O)P(=O)(O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148780
Phase Preclinical
Structure Type MOL
InChI Key DLOGDUMARVQZLH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.1
MW (Da)
0.53
ALogP
3
HBA
5
HBD
135.3
PSA (Ų)
0.51
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 C8H12O7P2
MW 282.12
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.56

Activity Summary

IC50 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphoglycerate kinase
CHEMBL2096677
 IC50 4.16 4.16 68800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphoglycerate kinase IC50 = 68800.0 nM 4.16 Inhibitory activity against 3-phosphoglycerate kinase. 9871609

Literature References

PubMed DOI Target Context # Activities
9871609 10.1016/s0960-894x(98)00059-6 No relevant target 2
9871609 10.1016/s0960-894x(98)00059-6 Phosphoglycerate kinase 1

Data from ChEMBL 36 via Core Engine