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Compound Detail

CHEMBL4435097

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CC(C)(C)c1csc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n1

Basic Information

ChEMBL ID CHEMBL4435097
Phase Preclinical
Structure Type MOL
InChI Key RRISDHJMKUKMIC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
4.54
ALogP
7
HBA
3
HBD
117.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N7O2S
MW 409.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.22

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27535613 10.1021/acs.jmedchem.6b00604 Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine