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Compound Detail

CHEMBL3890896

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COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1.Cl

Basic Information

ChEMBL ID CHEMBL3890896
Phase Preclinical
Structure Type MOL
InChI Key DYBBAKRYVKNMJY-UHFFFAOYSA-N
Parent Compound CHEMBL3990963
Active Moiety CHEMBL3990963
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
2.60
ALogP
9
HBA
2
HBD
111.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27ClN6O3
MW 470.96
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.14

Activity Summary

IC50 6 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.82 8.0867 1.5 3
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.57 7.57 26.9 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.84 6.84 144.5 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.1 6.1 794.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine