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Compound Detail

CHEMBL3928646

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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3928646
Phase Preclinical
Structure Type MOL
InChI Key GYKUJANUHZAPRA-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.6
MW (Da)
5.49
ALogP
8
HBA
0
HBD
74.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33N5O3
MW 499.62
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.17

Activity Summary

IC50 6 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.72 7.6567 1.9 3
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.38 6.38 416.9 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.3 5.685 501.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine