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Compound Detail

CHEMBL240776

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O=C(O)C(Cc1cccnc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL240776
Phase Preclinical
Structure Type MOL
InChI Key OKYPCMVDMTZBEX-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

231.1
MW (Da)
0.25
ALogP
3
HBA
3
HBD
107.7
PSA (Ų)
0.64
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 C8H10NO5P
MW 231.14
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.12

Activity Summary

IC50 4 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 IC50 5.58 5.58 2600.0 1
Unchecked
CHEMBL612545
 IC50 4.45 4.45 35300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 2600.0 nM 5.58 Reduction of viability of mouse J744 cells after 48 hrs 17975902
Unchecked IC50 = 35300.0 nM 4.45 Inhibition of RGGT 17975902

Literature References

PubMed DOI Target Context # Activities
17975902 10.1021/jm0702884 Unchecked 3
25935643 10.1016/j.bmcl.2015.04.021 Unchecked 3
25935643 10.1016/j.bmcl.2015.04.021 RPMI-8226 3
17975902 10.1021/jm0702884 ADMET 1
17975902 10.1021/jm0702884 Farnesyl pyrophosphate synthase 1
25935643 10.1016/j.bmcl.2015.04.021 Farnesyl pyrophosphate synthase 1
25935643 10.1016/j.bmcl.2015.04.021 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine