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Compound Detail

CHEMBL310306

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O=C1Nc2ccc(Cl)cc2C(C#Cc2ncccn2)(C2CC2)N1

Basic Information

ChEMBL ID CHEMBL310306
Phase Preclinical
Structure Type MOL
InChI Key QRWQZWCAXMZOPV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.8
MW (Da)
2.92
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN4O
MW 324.77
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.47

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7520079 10.1021/jm00041a023 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine