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Compound Detail

CHEMBL1767174

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CC(C)c1c(Cc2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1767174
Phase Preclinical
Structure Type MOL
InChI Key GSKSPIMUCMVHNA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
3.57
ALogP
5
HBA
0
HBD
53.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25FN2O3
MW 396.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 5.16 5.16 7000.0 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 = 7000.0 nM 5.16 Inhibition of recombinant HIV1 reverse transcriptase RNase H expressed in Escher... 30031978

Literature References

PubMed DOI Target Context # Activities
21381765 10.1021/jm1014378 Unchecked 2
30031978 10.1016/j.ejmech.2018.07.035 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine