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Compound Detail

CHEMBL3951868

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C=CC(=O)N(C)c1cc(N2CCN(CC)CC2)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3951868
Phase Preclinical
Structure Type MOL
InChI Key PIFUSTFCTYMRMO-UHFFFAOYSA-N
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

643.6
MW (Da)
5.50
ALogP
9
HBA
2
HBD
115.4
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36Cl2N8O4
MW 643.58
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -1.00

Activity Summary

IC50 8 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.85 7.85 14.0 4
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.53 6.53 297.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 4 IC50 = 14.0 nM 7.85 Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... -
Fibroblast growth factor receptor 4 IC50 = 14.0 nM 7.85 Binding Assay: Purified, recombinant FGFR4 was pre-incubated with 10 μM compound... -
Fibroblast growth factor receptor 4 IC50 = 14.0 nM 7.85 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 4 IC50 = 14.0 nM 7.85 Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... -
Fibroblast growth factor receptor 1 IC50 = 297.0 nM 6.53 Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... -
Fibroblast growth factor receptor 1 IC50 = 297.0 nM 6.53 Kinase HotSpots Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), o... -
Fibroblast growth factor receptor 1 IC50 = 297.0 nM 6.53 Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... -
Fibroblast growth factor receptor 1 IC50 = 297.0 nM 6.53 Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... -

Data from ChEMBL 36 via Core Engine