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Compound Detail

CHEMBL358782

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C=CCOCc1ccnc2c1NC(=O)c1cccnc1N2C1CC1

Basic Information

ChEMBL ID CHEMBL358782
Phase Preclinical
Structure Type MOL
InChI Key WIFLXEJTDWCVIH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.05
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O2
MW 322.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.85 5.85 1410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7490733 10.1021/jm00024a011 Human immunodeficiency virus type 1 reverse transcriptase 3

Data from ChEMBL 36 via Core Engine