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Compound Detail

CHEMBL3964574

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COc1cc(OC)cc(N(CCNS(=O)(=O)C(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3964574
Phase Preclinical
Structure Type MOL
InChI Key ZAPUSNWRFJVSGX-UHFFFAOYSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
3.51
ALogP
9
HBA
1
HBD
111.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N6O4S
MW 510.62
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.46

Activity Summary

IC50 8 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.96 8.43 1.1 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.91 8.37 1.2 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.74 8.74 1.8 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.65 8.65 2.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.83 7.075 14.8 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine