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Compound Detail

CHEMBL116347

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O=C(O)c1cc(Cc2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116347
Phase Preclinical
Structure Type MOL
InChI Key BFCJNYJGIGUQJA-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

357.1
MW (Da)
3.39
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10Cl2O6
MW 357.14
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.04

Activity Summary

EC50 1 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8558520 10.1021/jm950666h CEM-SS 2
1704066 10.1021/jm00105a053 Human immunodeficiency virus 1 2
1704066 10.1021/jm00105a053 Human immunodeficiency virus 2 1
1704066 10.1021/jm00105a053 MT4 1
17368023 10.1016/j.bmcl.2007.02.069 Tyrosine-protein phosphatase non-receptor type 1 1
20006515 10.1016/j.bmc.2009.11.050 DNA (cytosine-5)-methyltransferase 1 1
20006515 10.1016/j.bmc.2009.11.050 DNA (cytosine-5)-methyltransferase 3B 1

Data from ChEMBL 36 via Core Engine