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

CHEMBL59917

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=C1Nc2ccc(Cl)c(Cl)c2[C@@](C#CC2CC2)(C(F)(F)F)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59917
Phase Preclinical
Structure Type MOL
InChI Key IGRGVFGQNLLJJK-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.1
MW (Da)
4.30
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9Cl2F3N2O
MW 349.14
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 6.78 6.78 166.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 166.0 nM 6.78 Inhibition of HIV-1 reverse transcriptase. 10821714

Literature References

PubMed DOI Target Context # Activities
10821714 10.1021/jm990580e Human immunodeficiency virus 1 4
10821714 10.1021/jm990580e Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine