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Compound Detail

CHEMBL499839

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Oc1c(-c2noc(-c3ccccc3)n2)ncc2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL499839
Phase Preclinical
Structure Type MOL
InChI Key DUBGEALVGCEPIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.05
ALogP
6
HBA
1
HBD
84.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10N4O2
MW 290.28
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
19217781 10.1016/j.bmcl.2009.01.090 Human immunodeficiency virus type 1 integrase 1
19217781 10.1016/j.bmcl.2009.01.090 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine