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Compound Detail

CHEMBL156571

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O=P(O)(O)C(O)(Cc1ccc(Cl)cc1Cl)P(=O)(O)O

Basic Information

ChEMBL ID CHEMBL156571
Phase Preclinical
Structure Type MOL
InChI Key WXRXOCIVRHLIKY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.0
MW (Da)
1.54
ALogP
3
HBA
5
HBD
135.3
PSA (Ų)
0.52
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 C8H10Cl2O7P2
MW 351.01
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inositol monophosphatase 1
CHEMBL4505
IC50 4.64 4.64 23000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Inositol monophosphatase 1 IC50 = 23000.0 nM 4.64 Concentration required for 50% inhibition of Inositol monophosphatase -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81212-9 Inositol monophosphatase 1 1

Data from ChEMBL 36 via Core Engine