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Compound Detail

CHEMBL1767175

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COn1c(=O)c(C(C)C)c(Cc2ccccc2)n(COCc2ccc(F)cc2)c1=O

Basic Information

ChEMBL ID CHEMBL1767175
Phase Preclinical
Structure Type MOL
InChI Key RZLCKONSWTYTTN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
3.10
ALogP
6
HBA
0
HBD
62.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25FN2O4
MW 412.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

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