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Compound Detail

CHEMBL208974

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COc1ccc(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1

Basic Information

ChEMBL ID CHEMBL208974
Phase Preclinical
Structure Type MOL
InChI Key ZZWZWOICWNQYRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
3.31
ALogP
4
HBA
2
HBD
81.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O3S
MW 358.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 2700.0 nM 5.57 Inhibition of FLT3 16580199

Literature References

PubMed DOI Target Context # Activities
16580199 10.1016/j.bmcl.2006.03.032 Receptor-type tyrosine-protein kinase FLT3 1
16580199 10.1016/j.bmcl.2006.03.032 MV4-11 1

Data from ChEMBL 36 via Core Engine