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Compound Detail

CHEMBL5179166

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CCN1CCN(c2ccc(Nc3ncnc(-c4cccnc4Nc4c(Cl)c(OC)cc(OC)c4Cl)n3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5179166
Phase Preclinical
Structure Type MOL
InChI Key QVPHYLGGPUFPEQ-UHFFFAOYSA-N
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

581.5
MW (Da)
5.89
ALogP
10
HBA
2
HBD
100.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30Cl2N8O2
MW 581.51
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.13

Activity Summary

IC50 7 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 9.04 7.735 0.9 2
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 8.71 7.63 1.9 3
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.98 7.98 10.5 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.43 6.43 372.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 2 IC50 = 0.92 nM 9.04 Inhibition of FGFR2 N549H mutant (unknown origin) by radiometric kinase activity... 35436119
Fibroblast growth factor receptor 3 IC50 = 1.93 nM 8.71 Inhibition of wild-type FGFR3 (unknown origin) by radiometric kinase activity as... 35436119
Fibroblast growth factor receptor 4 IC50 = 10.5 nM 7.98 Inhibition of wild-type FGFR4 (unknown origin) by radiometric kinase activity as... 35436119
Fibroblast growth factor receptor 3 IC50 = 42.1 nM 7.38 Inhibition of FGFR3 K650M mutant (unknown origin) by radiometric kinase activity... 35436119
Fibroblast growth factor receptor 3 IC50 = 159.0 nM 6.8 Inhibition of FGFR3 V555M mutant (unknown origin) by radiometric kinase activity... 35436119
Fibroblast growth factor receptor 1 IC50 = 372.1 nM 6.43 Inhibition of FGFR1 V561M mutant (unknown origin) by radiometric kinase activity... 35436119
Fibroblast growth factor receptor 2 IC50 = 369.3 nM 6.43 Inhibition of FGFR2 V564F mutant (unknown origin) by radiometric kinase activity... 35436119

Literature References

PubMed DOI Target Context # Activities
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 3 9
35436119 10.1021/acs.jmedchem.1c01776 AN3-CA 9
35436119 10.1021/acs.jmedchem.1c01776 BaF3 9
35436119 10.1021/acs.jmedchem.1c01776 J82 8
35436119 10.1021/acs.jmedchem.1c01776 Unchecked 6
35436119 10.1021/acs.jmedchem.1c01776 KMS-11 5
35436119 10.1021/acs.jmedchem.1c01776 ADMET 4
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 2 4
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 1 3
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 4 2
35436119 10.1021/acs.jmedchem.1c01776 Interleukin-1 receptor-associated kinase 1 2
35436119 10.1021/acs.jmedchem.1c01776 Serine/threonine-protein kinase 16 2
35436119 10.1021/acs.jmedchem.1c01776 Macrophage colony-stimulating factor 1 receptor 1
35436119 10.1021/acs.jmedchem.1c01776 Epithelial discoidin domain-containing receptor 1 1
35436119 10.1021/acs.jmedchem.1c01776 Cyclin-dependent kinase 17 1
35436119 10.1021/acs.jmedchem.1c01776 Tyrosine-protein kinase Lyn 1
35436119 10.1021/acs.jmedchem.1c01776 Tyrosine-protein kinase Lck 1
35436119 10.1021/acs.jmedchem.1c01776 Proto-oncogene tyrosine-protein kinase ROS 1
35436119 10.1021/acs.jmedchem.1c01776 Serine/threonine-protein kinase TAO1 1
35436119 10.1021/acs.jmedchem.1c01776 Serine/threonine-protein kinase MAK 1

Data from ChEMBL 36 via Core Engine