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Compound Detail

CHEMBL3899151

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COc1cc(OC)cc(N(CCCNCCC#N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3899151
Phase Preclinical
Structure Type MOL
InChI Key WITKAEIQNFPTFS-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
4.08
ALogP
9
HBA
1
HBD
101.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N7O2
MW 471.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.37

Activity Summary

IC50 5 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.85 8.85 1.4 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.73 8.73 1.9 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.6 8.6 2.5 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.88 7.88 13.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.68 7.68 20.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine