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Compound Detail

CHEMBL368689

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O=C1C(c2c(O)[nH]c3ccc(S(=O)(=O)[O-])cc23)=Nc2ccccc21.[Na+]

Basic Information

ChEMBL ID CHEMBL368689
Phase Preclinical
Structure Type MOL
InChI Key AEXBCOHXODIJFZ-UHFFFAOYSA-M
Parent Compound CHEMBL1207227
Active Moiety CHEMBL1207227
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
2.44
ALogP
5
HBA
3
HBD
119.8
PSA (Ų)
0.62
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 C16H9N2NaO5S
MW 364.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.05

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 280.0 nM 6.55 Inhibition of FLT3 by HTRF assay 20153646

Literature References

PubMed DOI Target Context # Activities
15993584 10.1016/j.bmcl.2005.05.105 A549 1
15993584 10.1016/j.bmcl.2005.05.105 Unchecked 1
15993584 10.1016/j.bmcl.2005.05.105 HT-1080 1
15993584 10.1016/j.bmcl.2005.05.105 HL-60 1
20153646 10.1016/j.bmcl.2010.01.039 Receptor-type tyrosine-protein kinase FLT3 1
20153646 10.1016/j.bmcl.2010.01.039 NON-PROTEIN TARGET 1
20153646 10.1016/j.bmcl.2010.01.039 MV4-11 1

Data from ChEMBL 36 via Core Engine