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Compound Detail

CHEMBL3938610

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COCCNC(=O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1

Basic Information

ChEMBL ID CHEMBL3938610
Phase Preclinical
Structure Type MOL
InChI Key KOKAMMCXLNVHTO-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
2.95
ALogP
9
HBA
1
HBD
103.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6O4
MW 476.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.58

Activity Summary

IC50 5 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.51 6.68 30.9 3
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.82 5.82 1513.6 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.74 5.74 1819.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine