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Compound Detail

CHEMBL3701267

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COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c23)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3701267
Phase Preclinical
Structure Type MOL
InChI Key NFYDPTASEPAEMT-AATRIKPKSA-N
4
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
1.93
ALogP
8
HBA
1
HBD
98.7
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 C25H28N6O3
MW 460.54
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.52

Activity Summary

IC50 11 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 9.15 9.15 0.7 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 9.0 8.928 1.0 5
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.55 8.55 2.8 2
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.68 7.68 21.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 3 IC50 = 0.7 nM 9.15 Inhibition Assay: Purified recombinant human FGFR3 protein was purchased from Ca... -
Fibroblast growth factor receptor 3 IC50 = 0.7 nM 9.15 Measurement of Inhibitory Effect on FGFR3 Kinase Activity: The inhibitory effect... -
Fibroblast growth factor receptor 2 IC50 = 1.0 nM 9.0 Inhibition Assay: When setting conditions for the measurement of the inhibitory ... -
Fibroblast growth factor receptor 2 IC50 = 1.0 nM 9.0 FGFR2 Kinase Activity: When setting conditions for the measurement of the inhibi... -
Fibroblast growth factor receptor 2 IC50 = 1.0 nM 9.0 Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... -
Fibroblast growth factor receptor 2 IC50 = 1.5 nM 8.82 Inhibition Assay: When setting conditions for the measurement of the inhibitory ... -
Fibroblast growth factor receptor 2 IC50 = 1.5 nM 8.82 Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... -
Fibroblast growth factor receptor 1 IC50 = 2.8 nM 8.55 Inhibition Assay: Purified recombinant human FGFR4 protein was purchased from Ca... -
Fibroblast growth factor receptor 1 IC50 = 2.8 nM 8.55 Measurement of Inhibitory Effect on FGFR1 Kinase Activity: When setting conditio... -
Fibroblast growth factor receptor 4 IC50 = 21.0 nM 7.68 Inhibition Assay: Purified recombinant human FGFR4 protein was purchased from Ca... -
Fibroblast growth factor receptor 4 IC50 = 21.0 nM 7.68 Measurement of Inhibitory Effect on FGFR4 Kinase Activity: The inhibitory effect... -

Data from ChEMBL 36 via Core Engine