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Compound Detail

CHEMBL4443351

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O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1nc(-c2ccccc2)cs1

Basic Information

ChEMBL ID CHEMBL4443351
Phase Preclinical
Structure Type MOL
InChI Key WVZAHVMIRWYWJR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
4.91
ALogP
7
HBA
3
HBD
117.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15N7O2S
MW 429.47
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -2.19

Activity Summary

IC50 1 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 7.14 7.14 73.0 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