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Compound Detail

CHEMBL303466

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C#CN1c2ccccc2N(C)C(=O)c2cccnc21

Basic Information

ChEMBL ID CHEMBL303466
Phase Preclinical
Structure Type MOL
InChI Key HJPOBUOHMVLNAD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
2.40
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11N3O
MW 249.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1712395 10.1021/jm00111a045 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine