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Compound Detail

CHEMBL437070

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

Basic Information

ChEMBL ID CHEMBL437070
Phase Preclinical
Structure Type MOL
InChI Key OLUMGKKMCDOUCO-SFYZADRCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

290.2
MW (Da)
-0.90
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.48
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 C9H11N2O7P
MW 290.17
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.59

Activity Summary

IC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.24 5.24 5700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5700.0 nM 5.24 Inhibition of wild type HIV reverse transcriptase 18029175

Literature References

PubMed DOI Target Context # Activities
18029175 10.1016/j.bmcl.2007.10.038 Human immunodeficiency virus 1
18029175 10.1016/j.bmcl.2007.10.038 MT2 1
18029175 10.1016/j.bmcl.2007.10.038 Unchecked 1

Data from ChEMBL 36 via Core Engine