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Compound Detail

CHEMBL189328

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CN1C(=O)c2ccccc2C1(N)c1ccccc1

Basic Information

ChEMBL ID CHEMBL189328
Phase Preclinical
Structure Type MOL
InChI Key UFKAZIHEPKPBQF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
1.93
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.82
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 C15H14N2O
MW 238.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.10

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15801834 10.1021/jm049606e Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine