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Compound Detail

CHEMBL149943

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O=P(O)(O)c1cccc(C(Cl)P(=O)(O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149943
Phase Preclinical
Structure Type MOL
InChI Key OHIJOFJUQRIKKP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.5
MW (Da)
0.90
ALogP
2
HBA
4
HBD
115.1
PSA (Ų)
0.48
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 C7H9ClO6P2
MW 286.54
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.06

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphoglycerate kinase
CHEMBL2096677
 IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphoglycerate kinase IC50 = 17000.0 nM 4.77 Inhibitory activity against 3-phosphoglycerate kinase. 9871609

Literature References

PubMed DOI Target Context # Activities
9871609 10.1016/s0960-894x(98)00059-6 Phosphoglycerate kinase 1

Data from ChEMBL 36 via Core Engine