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

CHEMBL2367976

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=c1[nH]c(=O)n([C@@H]2C=C(CO)[C@@H](O)[C@H]2O)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2367976
Phase Preclinical
Structure Type MOL
InChI Key XLTHQNOMPHFPMV-PRJMDXOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
-2.13
ALogP
6
HBA
4
HBD
115.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11FN2O5
MW 258.20
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.68

Activity Summary

EC50 1 meas. best 4.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 4.03 4.03 93100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 93100.0 nM 4.03 In vitro antiviral activity against HIV-1 in human PBM cells. 11689085

Literature References

PubMed DOI Target Context # Activities
11689085 10.1021/jm010256v Human immunodeficiency virus 1 1
11689085 10.1021/jm010256v West Nile virus 1
11689085 10.1021/jm010256v ADMET 1
11689085 10.1021/jm010256v Vero 1
11689085 10.1021/jm010256v CCRF-CEM 1

Data from ChEMBL 36 via Core Engine