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Compound Detail

CHEMBL82359

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O=C(Nc1ccc2ccc(C(=O)O)c(O)c2n1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82359
Phase Preclinical
Structure Type MOL
InChI Key QYXBWMKFRATWBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
2.89
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N2O4
MW 308.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
15109635 10.1016/j.bmcl.2004.03.005 Human immunodeficiency virus type 1 integrase 1
15109635 10.1016/j.bmcl.2004.03.005 Human immunodeficiency virus 1 1
15109635 10.1016/j.bmcl.2004.03.005 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine