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Compound Detail

CHEMBL3288957

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O=c1c(O)c(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)oc2cc(O)cc(O)c12

Basic Information

ChEMBL ID CHEMBL3288957
Phase Preclinical
Structure Type MOL
InChI Key RXBOXTWQCURVQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

466.4
MW (Da)
5.25
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.33
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 C28H18O7
MW 466.45
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
24794743 10.1016/j.bmc.2014.04.016 Human immunodeficiency virus type 1 integrase 3
24794743 10.1016/j.bmc.2014.04.016 Human immunodeficiency virus 1 1
24794743 10.1016/j.bmc.2014.04.016 C8166 1

Data from ChEMBL 36 via Core Engine