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Compound Detail

CHEMBL368805

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O=C(c1ccc(O)cc1O)C1C(c2ccc(O)cc2)OC(c2ccc(O)cc2)C1C(=O)c1ccc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368805
Phase Preclinical
Structure Type MOL
InChI Key MGYYQYIFNBTUAB-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

528.5
MW (Da)
4.73
ALogP
9
HBA
6
HBD
164.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H24O9
MW 528.51
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 0.64

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
9083483 10.1021/jm960759e Human immunodeficiency virus type 1 integrase 6

Data from ChEMBL 36 via Core Engine