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Compound Detail

CHEMBL71206

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O=c1c2c(O)c(O)ccc2c2cc(O)c(O)cc2n1Cc1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL71206
Phase Preclinical
Structure Type MOL
InChI Key XRZJWPUIFWIDRE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.2
MW (Da)
4.33
ALogP
6
HBA
4
HBD
102.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13Cl2NO5
MW 418.23
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.19

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
7518523 10.1021/jm00040a015 Proto-oncogene tyrosine-protein kinase Src 1
7518523 10.1021/jm00040a015 cAMP-dependent protein kinase (PKA) 1

Data from ChEMBL 36 via Core Engine