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Compound Detail

CHEMBL2337427

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CC1CCCCC1Oc1cc(Cc2ccccc2)[nH]c(=O)c1Br

Basic Information

ChEMBL ID CHEMBL2337427
Phase Preclinical
Structure Type MOL
InChI Key PRACLXQGVHQKOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.3
MW (Da)
4.69
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22BrNO2
MW 376.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.06

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.92 5.92 1210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23540737 10.1021/jm400102x Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine