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Compound Detail

CHEMBL176724

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Nc1cc(C(=O)O)c(-c2cc(O)c(N)cc2C(=O)O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL176724
Phase Preclinical
Structure Type MOL
InChI Key WOHMDLCTSDBBPM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
1.33
ALogP
6
HBA
6
HBD
167.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O6
MW 304.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.34

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
9083483 10.1021/jm960759e Human immunodeficiency virus type 1 integrase 4

Data from ChEMBL 36 via Core Engine