Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL240775

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)C(Br)(Cc1cccnc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL240775
Phase Preclinical
Structure Type MOL
InChI Key ASQJDWAZYSYWNF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.0
MW (Da)
0.98
ALogP
3
HBA
3
HBD
107.7
PSA (Ų)
0.56
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 C8H9BrNO5P
MW 310.04
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.26

Activity Summary

IC50 2 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 IC50 5.26 5.26 5500.0 1
Unchecked
CHEMBL612545
 IC50 4.75 4.75 17700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 5500.0 nM 5.26 Reduction of viability of mouse J744 cells after 48 hrs 17975902
Unchecked IC50 = 17700.0 nM 4.75 Inhibition of RGGT 17975902

Literature References

PubMed DOI Target Context # Activities
17975902 10.1021/jm0702884 Unchecked 3
17975902 10.1021/jm0702884 Farnesyl pyrophosphate synthase 1
17975902 10.1021/jm0702884 ADMET 1

Data from ChEMBL 36 via Core Engine