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Compound Detail

CHEMBL4514636

FISOGATINIB
🧪 Phase II
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🧪 Phase II
C=CC(=O)N[C@H]1CCOC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4514636
Name FISOGATINIB
Phase Phase II
Structure Type MOL
InChI Key MGZKYOAQVGSSGC-DLBZAZTESA-N

Known Names

BLU-111362 BLU-554 BLU111362 Fisogatinib X-439161 X439161
12
Targets
32
Activities
1
Assay Types
18
PK Parameters
20
Publications
6
Known Names
2
Indications

Molecular Properties

503.4
MW (Da)
4.49
ALogP
7
HBA
2
HBD
94.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -tinib
USAN Year 2019

Extended Properties

Molecular Formula C24H24Cl2N4O4
MW 503.39
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.14

Indications

Carcinoma, Hepatocellular Neoplasms

Activity Summary

IC50 32 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 8.52 8.1417 3.0 6
BaF3
CHEMBL614524
 IC50 8.04 6.975 9.2 4
Hep 3B2
CHEMBL4296437
 IC50 7.4 7.2167 40.0 3
Huh-7
CHEMBL614039
 IC50 7.34 7.205 45.9 4
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 6.82 6.24 150.0 2
Unchecked
CHEMBL612545
 IC50 6.79 6.79 161.0 1
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 6.31 5.9433 493.0 3
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.23 6.038 591.0 5
HepG2
CHEMBL395
 IC50 5.35 5.35 4431.0 1
Cytochrome P450 2C8
CHEMBL3721
 IC50 5.33 5.33 4700.0 1
Cytochrome P450 2B6
CHEMBL4729
 IC50 4.66 4.66 21780.0 1
Cytochrome P450 2C9
CHEMBL3397
 IC50 4.62 4.62 24190.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 8155.2 ng.hr.mL-1 Rattus norvegicus
AUC 1023.1 ng.hr.mL-1 Rattus norvegicus
CL 16.67 mL.min-1.kg-1 Rattus norvegicus
Cmax 5107.37 nM Rattus norvegicus
Cmax 2306.36 nM Rattus norvegicus
F 79.7 % Rattus norvegicus
T1/2 0.02 hr Rattus norvegicus
T1/2 0.01667 hr Rattus norvegicus
T1/2 0.3333 hr Mus musculus
T1/2 0.42 hr Homo sapiens
T1/2 4.818 hr Mus musculus
T1/2 4.818 hr Rattus norvegicus
T1/2 4.818 hr Canis lupus familiaris
T1/2 4.818 hr Macaca fascicularis
T1/2 4.818 hr Homo sapiens
T1/2 17.0 hr Homo sapiens
Tmax 0.5 hr Rattus norvegicus
Vd 1.4 L.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 4 IC50 = 3.0 nM 8.52 Inhibition of FGFR4 (unknown origin) 37976704
Fibroblast growth factor receptor 4 IC50 = 3.9 nM 8.41 Inhibition of FGFR4 (445 to 753 residues) (unknown origin) expressed in Escheric... 37437349
Fibroblast growth factor receptor 4 IC50 = 5.0 nM 8.3 Inhibition of FGFR4 (unknown origin) 34488024
Fibroblast growth factor receptor 4 IC50 = 5.3 nM 8.28 Inhibition of FGFR4 (unknown origin) using TK as substrate incubated for 1 hr in... 36480917
Fibroblast growth factor receptor 4 IC50 = 8.8 nM 8.06 Inhibition of FGFR4 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incub... 35635004
BaF3 IC50 = 9.2 nM 8.04 Antiproliferative activity against mouse BaF3 cells harboring wild type FGFR4 as... 38348819
Hep 3B2 IC50 = 40.0 nM 7.4 Antiproliferative activity against human Hep3B cells expressing FGF19/FGFR4 asse... 35635004
Huh-7 IC50 = 45.9 nM 7.34 Cytotoxicity against human Huh-7 cells assessed as inhibition of cell growth inc... 36480917
Hep 3B2 IC50 = 46.0 nM 7.34 Antiproliferative activity against human Hep3B cells measured after 24 to 48 hrs... 37437349
Huh-7 IC50 = 50.0 nM 7.3 Antiproliferative activity against human Huh-7 cells assessed as inhibition of c... 35635004
Fibroblast growth factor receptor 4 IC50 = 53.0 nM 7.28 Inhibition of FGFR4 (unknown origin) by Z'-LYTE kinase assay 38706130
BaF3 IC50 = 66.5 nM 7.18 Antiproliferative activity against mouse BaF3 cells expressing TEL-FGFR4 assesse... 35635004
Huh-7 IC50 = 81.0 nM 7.09 Antiproliferative activity against FGFR4 overexpressing human Huh-7 cells assess... 38706130
Huh-7 IC50 = 81.0 nM 7.09 Antiproliferative activity against human Huh-7 cells measured after 24 to 48 hrs... 37437349
Hep 3B2 IC50 = 122.0 nM 6.91 Antiproliferative activity against FGF19 amplified human Hep3B cells assessed as... 38706130
Fibroblast growth factor receptor 3 IC50 = 150.0 nM 6.82 Inhibition of FGFR3 (unknown origin) 37976704
Unchecked IC50 = 161.0 nM 6.79 Antiproliferative activity against FGF19 amplified human JHH7 cells assessed as ... 38706130
BaF3 IC50 = 396.0 nM 6.4 Antiproliferative activity against mouse BaF3 cells harbouring ETV6-FGFR4-V550L ... 37437349
Fibroblast growth factor receptor 2 IC50 = 493.0 nM 6.31 Inhibition of FGFR2 (unknown origin) 37976704
BaF3 IC50 = 528.0 nM 6.28 Antiproliferative activity against mouse BaF3 cells harbouring ETV6-FGFR4-N535K ... 37437349

Literature References

PubMed DOI Target Context # Activities
35635004 10.1021/acs.jmedchem.1c01977 ADMET 21
35635004 10.1021/acs.jmedchem.1c01977 Hep 3B2 12
35635004 10.1021/acs.jmedchem.1c01977 Unchecked 4
38706130 10.1021/acs.jmedchem.4c00758 Fibroblast growth factor receptor 4 3
38348819 10.1021/acs.jmedchem.3c01810 BaF3 3
35635004 10.1021/acs.jmedchem.1c01977 Fibroblast growth factor receptor 4 3
35635004 10.1021/acs.jmedchem.1c01977 Cytochrome P450 3A4 2
37437349 10.1016/j.ejmech.2023.115628 Huh-7 2
38706130 10.1021/acs.jmedchem.4c00758 Huh-7 2
37437349 10.1016/j.ejmech.2023.115628 BaF3 2
38706130 10.1021/acs.jmedchem.4c00758 ADMET 2
35635004 10.1021/acs.jmedchem.1c01977 Fibroblast growth factor receptor 1 2
35635004 10.1021/acs.jmedchem.1c01977 RT-112 1
35635004 10.1021/acs.jmedchem.1c01977 NCI-H1581 1
37437349 10.1016/j.ejmech.2023.115628 HepG2 1
34488024 10.1016/j.ejmech.2021.113794 Fibroblast growth factor receptor 4 1
34488024 10.1016/j.ejmech.2021.113794 Fibroblast growth factor receptor 3 1
34488024 10.1016/j.ejmech.2021.113794 Fibroblast growth factor receptor 2 1
34488024 10.1016/j.ejmech.2021.113794 Fibroblast growth factor receptor 1 1
31413803 10.1021/acsmedchemlett.9b00196 Fibroblast growth factor receptor 3 1

Data from ChEMBL 36 via Core Engine