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Compound Detail

CHEMBL3814654

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O=C1c2cc(-c3cn[nH]c3)ccc2-c2[nH]c3cc(-c4cn[nH]c4)ccc3c21

Basic Information

ChEMBL ID CHEMBL3814654
Phase Preclinical
Structure Type MOL
InChI Key DQWWQMCCBCPCMU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
4.16
ALogP
3
HBA
3
HBD
90.2
PSA (Ų)
0.44
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 C21H13N5O
MW 351.37
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -0.09

Activity Summary

IC50 2 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.9 6.82 126.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27190596 10.1021/acsmedchemlett.5b00498 Receptor-type tyrosine-protein kinase FLT3 2

Data from ChEMBL 36 via Core Engine