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Compound Detail

CHEMBL367553

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O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL367553
Phase Preclinical
Structure Type MOL
InChI Key OLAPPGSPBNVTRF-UHFFFAOYSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.2
MW (Da)
1.63
ALogP
4
HBA
4
HBD
149.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8O8
MW 304.21
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.14

Activity Summary

IC50 5 meas.

Literature References

PubMed DOI Target Context # Activities
9083483 10.1021/jm960759e Human immunodeficiency virus type 1 integrase 6
15006380 10.1016/j.bmcl.2004.01.027 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine