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Compound Detail

CHEMBL3922418

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CCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)cc(OC)c1Cl

Basic Information

ChEMBL ID CHEMBL3922418
Phase Preclinical
Structure Type MOL
InChI Key RKRDVEBFGMJINX-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
4.86
ALogP
7
HBA
0
HBD
65.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN5O2
MW 423.90
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.37

Activity Summary

IC50 4 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 8.425 1.1 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.31 7.31 49.0 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.55 5.55 2818.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine