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Compound Detail

CHEMBL3681296

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COc1cc(OC)c2cc(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)[nH]c2c1

Basic Information

ChEMBL ID CHEMBL3681296
Phase Preclinical
Structure Type MOL
InChI Key LZUCMYASLOBNKP-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
3.37
ALogP
7
HBA
3
HBD
123.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N6O3
MW 416.44
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.26

Activity Summary

IC50 6 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 7.82 7.82 15.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.4 7.4 40.0 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.1 7.1 80.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine