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Compound Detail

CHEMBL307792

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O=C1Nc2cccnc2Nc2ccccc21

Basic Information

ChEMBL ID CHEMBL307792
Phase Preclinical
Structure Type MOL
InChI Key MIRBIZDDMSFTKY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

211.2
MW (Da)
2.39
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.70
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 C12H9N3O
MW 211.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.22 5.22 6000.0 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
30516990 10.1021/acs.jmedchem.8b00843 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine