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Compound Detail

CHEMBL30488

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CC(=O)NC(COC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL30488
Phase Preclinical
Structure Type MOL
InChI Key JOZXHECUCJBVPP-HWKANZROSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
0.24
ALogP
6
HBA
4
HBD
133.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO7
MW 309.27
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.80

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
10212126 10.1021/jm980531m Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine