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Compound Detail

CHEMBL226473

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Cc1cc(C)c2[nH]c(=O)c3ccc(C#N)cc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226473
Phase Preclinical
Structure Type MOL
InChI Key JRELVGMLTLHYGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
3.17
ALogP
2
HBA
1
HBD
56.6
PSA (Ų)
0.62
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 C16H12N2O
MW 248.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
17158051 10.1016/j.bmc.2006.11.026 Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine