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Compound Detail

CHEMBL304983

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Oc1cc2c3ccc(O)c(O)c3n(Cc3c(Cl)cccc3Cl)c2cc1O

Basic Information

ChEMBL ID CHEMBL304983
Phase Preclinical
Structure Type MOL
InChI Key MVSJQCKSFDKTSZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.2
MW (Da)
4.97
ALogP
5
HBA
4
HBD
85.8
PSA (Ų)
0.36
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 C19H13Cl2NO4
MW 390.22
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.05

Activity Summary

IC50 2 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.05 6.05 900.0 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