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Compound Detail

CHEMBL3925286

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COc1cc(OC)cc(N(CCN2CCC(O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3925286
Phase Preclinical
Structure Type MOL
InChI Key QSZLOMZJWAOHPQ-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
3.25
ALogP
9
HBA
1
HBD
88.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N6O3
MW 474.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.33

Activity Summary

IC50 4 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.74 8.67 1.8 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.48 7.48 33.1 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.13 5.13 7413.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine