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Compound Detail

CHEMBL367204

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Cc1nc(O)c(CCc2nc3ccccc3o2)cc1CO

Basic Information

ChEMBL ID CHEMBL367204
Phase Preclinical
Structure Type MOL
InChI Key YXTBBWMFLQLECP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.51
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.77
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 C16H16N2O3
MW 284.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.47 5.47 3400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7683054 10.1021/jm00060a002 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine