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Compound Detail

CHEMBL312269

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CN(C)CCCOc1ccc2c(c1)ncn2-c1ccccc1

Basic Information

ChEMBL ID CHEMBL312269
Phase Preclinical
Structure Type MOL
InChI Key TVCMMAFYYAKVLR-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
3.36
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O
MW 295.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.48

Activity Summary

IC50 3 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.82 6.82 150.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.39 5.39 4100.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 4.85 4.85 14000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10395478 10.1021/jm980658b Platelet-derived growth factor receptor beta 1
10395478 10.1021/jm980658b Fibroblast growth factor receptor 1 1
10395478 10.1021/jm980658b Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine