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Compound Detail

CHEMBL3814734

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N#Cc1ccc2c3c([nH]c2c1)-c1ccc(-c2cn[nH]c2)cc1C3=O

Basic Information

ChEMBL ID CHEMBL3814734
Phase Preclinical
Structure Type MOL
InChI Key AISGFGRVPBWDCN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
3.64
ALogP
3
HBA
2
HBD
85.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H10N4O
MW 310.32
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.52

Activity Summary

IC50 2 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 7.4 7.265 40.0 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