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Compound Detail

CHEMBL3900168

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CC#CC(=O)Nc1ccccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3900168
Phase Preclinical
Structure Type MOL
InChI Key TXZVKYMXSUDFAU-UHFFFAOYSA-N
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

529.4
MW (Da)
5.17
ALogP
7
HBA
3
HBD
117.7
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22Cl2N6O4
MW 529.38
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.65

Activity Summary

IC50 8 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.48 7.48 33.0 4
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 5.78 5.78 1680.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 4 IC50 = 33.0 nM 7.48 Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... -
Fibroblast growth factor receptor 4 IC50 = 33.0 nM 7.48 Binding Assay: Purified, recombinant FGFR4 was pre-incubated with 10 μM compound... -
Fibroblast growth factor receptor 4 IC50 = 33.0 nM 7.48 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 4 IC50 = 33.0 nM 7.48 Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... -
Fibroblast growth factor receptor 1 IC50 = 1680.0 nM 5.78 Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... -
Fibroblast growth factor receptor 1 IC50 = 1680.0 nM 5.78 Kinase HotSpots Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), o... -
Fibroblast growth factor receptor 1 IC50 = 1680.0 nM 5.78 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 1 IC50 = 1680.0 nM 5.78 Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... -

Data from ChEMBL 36 via Core Engine