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Compound Detail

CHEMBL4102096

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Cc1c(CC2CCCCC2)n(COCc2cccc(Cl)c2F)c(=O)n(O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102096
Phase Preclinical
Structure Type MOL
InChI Key IKOSQCGYSUKPRB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
3.65
ALogP
6
HBA
1
HBD
73.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24ClFN2O4
MW 410.87
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2200.0 nM 5.66 Inhibition of RNase H activity of full length HIV reverse transcriptase using RN... 28182989

Literature References

PubMed DOI Target Context # Activities
28182989 10.1016/j.ejmech.2017.01.041 Unchecked 4
28182989 10.1016/j.ejmech.2017.01.041 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine