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Compound Detail

CHEMBL3961994

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

Basic Information

ChEMBL ID CHEMBL3961994
Phase Preclinical
Structure Type MOL
InChI Key SNAPABPRVHZAGB-UHFFFAOYSA-N
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

517.4
MW (Da)
5.34
ALogP
7
HBA
3
HBD
117.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22Cl2N6O4
MW 517.37
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.75

Activity Summary

IC50 8 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 5.7 5.7 1980.0 4
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 5.38 5.38 4180.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 3 IC50 = 1980.0 nM 5.7 Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... -
Fibroblast growth factor receptor 3 IC50 = 1980.0 nM 5.7 Kinase HotSpots Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), o... -
Fibroblast growth factor receptor 3 IC50 = 1980.0 nM 5.7 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 3 IC50 = 1980.0 nM 5.7 Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... -
Fibroblast growth factor receptor 2 IC50 = 4180.0 nM 5.38 Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... -
Fibroblast growth factor receptor 2 IC50 = 4180.0 nM 5.38 Kinase HotSpots Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), o... -
Fibroblast growth factor receptor 2 IC50 = 4180.0 nM 5.38 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 2 IC50 = 4180.0 nM 5.38 Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... -

Data from ChEMBL 36 via Core Engine