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Compound Detail

CHEMBL373310

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O=S(=O)(/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)CS(=O)(=O)/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373310
Phase Preclinical
Structure Type MOL
InChI Key QPOZQHWLJMICOO-NBHCHVEOSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

772.9
MW (Da)
9.43
ALogP
8
HBA
0
HBD
105.2
PSA (Ų)
0.09
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H40O8S2
MW 772.94
Aromatic Rings 6
Heavy Atoms 55
NP-Likeness -0.14

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15999991 10.1021/jm049171v Human immunodeficiency virus type 1 integrase 2
17074494 10.1016/j.bmc.2006.10.017 Human immunodeficiency virus type 1 integrase 2
17074494 10.1016/j.bmc.2006.10.017 Human immunodeficiency virus 1 1
17074494 10.1016/j.bmc.2006.10.017 ADMET 1

Data from ChEMBL 36 via Core Engine