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Compound Detail

CHEMBL3910393

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COc1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3910393
Phase Preclinical
Structure Type MOL
InChI Key JTUYYIYBLVNIGF-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.73
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.47
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 C23H22FN5O
MW 403.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.71

Activity Summary

IC50 4 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.89 7.315 12.9 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.85 5.85 1412.5 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.24 5.24 5754.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine