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Compound Detail

CHEMBL305621

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O=S(=O)(c1ccccc1)c1ccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL305621
Phase Preclinical
Structure Type MOL
InChI Key NUANNPSQWPDWIN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
4.50
ALogP
7
HBA
4
HBD
120.0
PSA (Ų)
0.29
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 C25H19NO6S
MW 461.50
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.30

Activity Summary

IC50 2 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 600.0 nM 6.22 Tested for in vitro inhibitory activity against tyrosine protein kinase pp60 c-s... 7518523

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