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Compound Detail

CHEMBL4873041

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Cn1cc(-c2ccc3ncc(-c4ccc(-c5ccc(Cl)cc5)s4)n3c2)cn1

Basic Information

ChEMBL ID CHEMBL4873041
Phase Preclinical
Structure Type MOL
InChI Key QXZHRINOIMCXKR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
5.78
ALogP
5
HBA
0
HBD
35.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClN4S
MW 390.90
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -1.71

Activity Summary

IC50 1 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.79 5.79 1640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34479037 10.1016/j.ejmech.2021.113776 Receptor-type tyrosine-protein kinase FLT3 1
34479037 10.1016/j.ejmech.2021.113776 Serine/threonine-protein kinase Nek2 1

Data from ChEMBL 36 via Core Engine