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Compound Detail

CHEMBL5198569

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CCN1CCN(c2cccc(Nc3ncnc(-c4cccnc4Nc4c(Cl)c(OC)cc(OC)c4Cl)n3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5198569
Phase Preclinical
Structure Type MOL
InChI Key VOZIDBQIYRSKJX-UHFFFAOYSA-N
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
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 -1.18

Activity Summary

IC50 7 meas. best 9.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 9.24 7.82 0.6 3
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 9.22 7.73 0.6 2
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.0 7.0 101.2 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 5.93 5.93 1166.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 3 IC50 = 0.58 nM 9.24 Inhibition of wild-type FGFR3 (unknown origin) by radiometric kinase activity as... 35436119
Fibroblast growth factor receptor 2 IC50 = 0.6 nM 9.22 Inhibition of FGFR2 N549H mutant (unknown origin) by radiometric kinase activity... 35436119
Fibroblast growth factor receptor 3 IC50 = 44.3 nM 7.35 Inhibition of FGFR3 K650M mutant (unknown origin) by radiometric kinase activity... 35436119
Fibroblast growth factor receptor 4 IC50 = 101.2 nM 7.0 Inhibition of wild-type FGFR4 (unknown origin) by radiometric kinase activity as... 35436119
Fibroblast growth factor receptor 3 IC50 = 134.4 nM 6.87 Inhibition of FGFR3 V555M mutant (unknown origin) by radiometric kinase activity... 35436119
Fibroblast growth factor receptor 2 IC50 = 578.0 nM 6.24 Inhibition of FGFR2 V564F mutant (unknown origin) by radiometric kinase activity... 35436119
Fibroblast growth factor receptor 1 IC50 = 1166.9 nM 5.93 Inhibition of FGFR1 V561M mutant (unknown origin) by radiometric kinase activity... 35436119

Literature References

PubMed DOI Target Context # Activities
35436119 10.1021/acs.jmedchem.1c01776 BaF3 5
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 3 4
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 2 3
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 1 2
35436119 10.1021/acs.jmedchem.1c01776 Fibroblast growth factor receptor 4 1
35436119 10.1021/acs.jmedchem.1c01776 AN3-CA 1
35436119 10.1021/acs.jmedchem.1c01776 KMS-11 1
35436119 10.1021/acs.jmedchem.1c01776 J82 1

Data from ChEMBL 36 via Core Engine