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Compound Detail

CHEMBL71210

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O=c1c2cc(O)c(O)cc2c2cc(O)c(O)cc2n1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL71210
Phase Preclinical
Structure Type MOL
InChI Key DZKOOIBPZMGIBF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.3
MW (Da)
3.03
ALogP
6
HBA
4
HBD
102.9
PSA (Ų)
0.33
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 C20H15NO5
MW 349.34
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.14

Activity Summary

IC50 2 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 5.27 5.27 5400.0 1

Activity Data Samples

Top measurements by pChEMBL value

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