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Compound Detail

CHEMBL3701262

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COc1cc(C#Cc2cn([C@H]3CCN(C(=O)C#CC(C)(C)O)C3)c3ncnc(N)c23)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3701262
Phase Preclinical
Structure Type MOL
InChI Key NZYVQKUNDWKOTA-IBGZPJMESA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
1.98
ALogP
8
HBA
2
HBD
115.7
PSA (Ų)
0.56
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 C26H27N5O4
MW 473.53
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.60

Activity Summary

IC50 8 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 9.3 9.3 0.5 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.7 8.7 2.0 2
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.96 7.96 11.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 7.7 7.7 20.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 3 IC50 = 0.5 nM 9.3 Inhibition Assay: Purified recombinant human FGFR3 protein was purchased from Ca... -
Fibroblast growth factor receptor 3 IC50 = 0.5 nM 9.3 Measurement of Inhibitory Effect on FGFR3 Kinase Activity: The inhibitory effect... -
Fibroblast growth factor receptor 2 IC50 = 2.0 nM 8.7 Inhibition Assay: When setting conditions for the measurement of the inhibitory ... -
Fibroblast growth factor receptor 2 IC50 = 2.0 nM 8.7 Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... -
Fibroblast growth factor receptor 4 IC50 = 11.0 nM 7.96 Inhibition Assay: Purified recombinant human FGFR4 protein was purchased from Ca... -
Fibroblast growth factor receptor 4 IC50 = 11.0 nM 7.96 Measurement of Inhibitory Effect on FGFR4 Kinase Activity: The inhibitory effect... -
Fibroblast growth factor receptor 1 IC50 = 20.0 nM 7.7 Inhibition Assay: Purified recombinant human FGFR4 protein was purchased from Ca... -
Fibroblast growth factor receptor 1 IC50 = 20.0 nM 7.7 Measurement of Inhibitory Effect on FGFR1 Kinase Activity: When setting conditio... -

Data from ChEMBL 36 via Core Engine