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

CHEMBL272231

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=c1ccn([C@H]2CC[C@@H](OCP(=O)(O)O)O2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272231
Phase Preclinical
Structure Type MOL
InChI Key XVFIMLVCYPORKP-SFYZADRCSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.2
MW (Da)
-0.68
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.63
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 C9H13N2O7P
MW 292.18
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.65

Activity Summary

IC50 2 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.08 5.295 830.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 830.0 nM 6.08 Inhibition of wild type HIV reverse transcriptase 18029175
Unchecked IC50 = 31000.0 nM 4.51 Inhibition of wild type HIV reverse transcriptase 18029175

Literature References

PubMed DOI Target Context # Activities
18029175 10.1016/j.bmcl.2007.10.038 Unchecked 2
18029175 10.1016/j.bmcl.2007.10.038 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine