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Compound Detail

CHEMBL3890126

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CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1

Basic Information

ChEMBL ID CHEMBL3890126
Phase Preclinical
Structure Type MOL
InChI Key UHTLKZSSOZYNMP-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.60
ALogP
7
HBA
0
HBD
65.3
PSA (Ų)
0.45
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 C23H25N5O2
MW 403.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.40

Activity Summary

IC50 4 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.09 7.68 8.1 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.66 6.66 218.8 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.44 5.44 3630.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine