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Compound Detail

CHEMBL3701239

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C#CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3701239
Phase Preclinical
Structure Type MOL
InChI Key SENVOZNIDWYYED-HNNXBMFYSA-N
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
1.23
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
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 3
Heavy Atoms 31
NP-Likeness -0.87

Activity Summary

IC50 10 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 9.7 9.7 0.2 2
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 9.3 9.3 0.5 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.96 8.96 1.1 4
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.85 8.85 1.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 3 IC50 = 0.2 nM 9.7 Inhibition Assay: Purified recombinant human FGFR3 protein was purchased from Ca... -
Fibroblast growth factor receptor 3 IC50 = 0.2 nM 9.7 Measurement of Inhibitory Effect on FGFR3 Kinase Activity: The inhibitory effect... -
Fibroblast growth factor receptor 4 IC50 = 0.5 nM 9.3 Inhibition Assay: Purified recombinant human FGFR4 protein was purchased from Ca... -
Fibroblast growth factor receptor 4 IC50 = 0.5 nM 9.3 Measurement of Inhibitory Effect on FGFR4 Kinase Activity: The inhibitory effect... -
Fibroblast growth factor receptor 2 IC50 = 1.1 nM 8.96 Inhibition Assay: When setting conditions for the measurement of the inhibitory ... -
Fibroblast growth factor receptor 2 IC50 = 1.1 nM 8.96 FGFR2 Kinase Activity: When setting conditions for the measurement of the inhibi... -
Fibroblast growth factor receptor 2 IC50 = 1.1 nM 8.96 Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... -
Fibroblast growth factor receptor 2 IC50 = 1.1 nM 8.96 Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... -
Fibroblast growth factor receptor 1 IC50 = 1.4 nM 8.85 Inhibition Assay: Purified recombinant human FGFR4 protein was purchased from Ca... -
Fibroblast growth factor receptor 1 IC50 = 1.4 nM 8.85 Measurement of Inhibitory Effect on FGFR1 Kinase Activity: When setting conditio... -

Data from ChEMBL 36 via Core Engine