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Compound Detail

CHEMBL5542292

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C=CC(=O)Nc1ccc(-c2c(-c3ccc(C4(N(CC)C(C)C)COC4)c(F)c3)c3c(N)ncnc3n2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5542292
Phase Preclinical
Structure Type MOL
InChI Key HHILMGVBNVWONY-UHFFFAOYSA-N
9
Targets
10
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

528.6
MW (Da)
5.10
ALogP
7
HBA
2
HBD
98.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33FN6O2
MW 528.63
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.61

Activity Summary

IC50 10 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BaF3
CHEMBL614524
 IC50 8.85 7.93 1.4 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.28 8.28 5.2 1
SNU-16
CHEMBL613529
 IC50 7.89 7.89 12.9 1
KATO III stomach cancer cell line
CHEMBL612700
 IC50 7.82 7.82 15.1 1
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 6.74 6.74 180.3 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.5 6.5 318.5 1
A204
CHEMBL614514
 IC50 6.17 6.17 683.0 1
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 5.82 5.82 1524.5 1
RT-112
CHEMBL614145
 IC50 5.75 5.75 1790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BaF3 IC50 = 1.4 nM 8.85 Antiproliferation activity against mouse BaF3 cells expressing FGFR2 incubated f... 38718625
Fibroblast growth factor receptor 2 IC50 = 5.2 nM 8.28 Inhibition of N-terminal His6-tagged FGFR2 (458 to 768 residues)(unknown origin)... 38718625
SNU-16 IC50 = 12.9 nM 7.89 Antiproliferation activity against human SNU-16 cells harboring FGFR2 amplificat... 38718625
KATO III stomach cancer cell line IC50 = 15.1 nM 7.82 Antiproliferation activity against human KATO III cells harboring FGFR2 amplific... 38718625
BaF3 IC50 = 98.7 nM 7.01 Antiproliferation activity against mouse BaF3 cells expressing FGFR1 incubated f... 38718625
Fibroblast growth factor receptor 3 IC50 = 180.3 nM 6.74 Inhibition of FGFR3 (unknown origin) using Peptide30 as substrate incubated for ... 38718625
Fibroblast growth factor receptor 1 IC50 = 318.5 nM 6.5 Inhibition of FGFR1 (unknown origin) using Peptide30 as substrate incubated for ... 38718625
A204 IC50 = 683.0 nM 6.17 Antiproliferation activity against human A204 cells harboring FGFR2 amplificatio... 38718625
Fibroblast growth factor receptor 4 IC50 = 1524.5 nM 5.82 Inhibition of FGFR4 (unknown origin) using Peptide30 as substrate incubated for ... 38718625
RT-112 IC50 = 1790.0 nM 5.75 Antiproliferation activity against human RT-112 cells harboring FGFR3-TACC3 incu... 38718625

Literature References

PubMed DOI Target Context # Activities
38718625 10.1016/j.ejmech.2024.116473 Fibroblast growth factor receptor 2 12
38718625 10.1016/j.ejmech.2024.116473 BaF3 3
38718625 10.1016/j.ejmech.2024.116473 Fibroblast growth factor receptor 3 3
38718625 10.1016/j.ejmech.2024.116473 SNU-16 3
38718625 10.1016/j.ejmech.2024.116473 Fibroblast growth factor receptor 1 2
38718625 10.1016/j.ejmech.2024.116473 A204 2
38718625 10.1016/j.ejmech.2024.116473 Unchecked 1
38718625 10.1016/j.ejmech.2024.116473 Fibroblast growth factor receptor 4 1
38718625 10.1016/j.ejmech.2024.116473 KATO III stomach cancer cell line 1
38718625 10.1016/j.ejmech.2024.116473 RT-112 1
38718625 10.1016/j.ejmech.2024.116473 MDA-MB-453 1

Data from ChEMBL 36 via Core Engine