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Compound Detail

CHEMBL377873

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COc1ccc2cc(C(=O)c3cc4cc(OCCN(C)C)ccc4[nH]3)[nH]c2c1

Basic Information

ChEMBL ID CHEMBL377873
Phase Preclinical
Structure Type MOL
InChI Key UMAAJZWIMZYNQE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
3.83
ALogP
4
HBA
2
HBD
70.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O3
MW 377.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.74

Activity Summary

IC50 2 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 5.55 5.55 2800.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.17 5.17 6700.0 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