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Compound Detail

CHEMBL378930

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COc1cccc2cc(C(=O)c3cc4cc(O)ccc4[nH]3)[nH]c12

Basic Information

ChEMBL ID CHEMBL378930
Phase Preclinical
Structure Type MOL
InChI Key GVYNYFKEQPWOCQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
3.59
ALogP
3
HBA
3
HBD
78.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O3
MW 306.32
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.12

Activity Summary

IC50 2 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 5.54 5.54 2900.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.18 5.18 6600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16722630 10.1021/jm058033i Receptor-type tyrosine-protein kinase FLT3 1
16722630 10.1021/jm058033i Platelet-derived growth factor receptor 1

Data from ChEMBL 36 via Core Engine