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Compound Detail

CHEMBL2103830

FOSTAMATINIB
💊 Approved Drug
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💊 Approved Drug
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2103830
Name FOSTAMATINIB
Phase Approved
Structure Type MOL
InChI Key GKDRMWXFWHEQQT-UHFFFAOYSA-N
Therapeutic ✓ Yes
Active Moiety CHEMBL475251

Known Names

Fostamatinib R-788 R-788 FREE ACID R-935788 R-935788 FREE ACID R788 FREE ACID R935788 FREE ACID
21
Targets
26
Activities
3
Assay Types
1
PK Parameters
20
Publications
7
Known Names
14
Indications
1
Mechanisms

Molecular Properties

580.5
MW (Da)
3.09
ALogP
12
HBA
4
HBD
186.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2018
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

First in Class Prodrug
USAN Stem fos-; -tinib
USAN Year 2008

Extended Properties

Molecular Formula C23H26FN6O9P
MW 580.47
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.53

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Tyrosine-protein kinase SYK inhibitor INHIBITOR Tyrosine-protein kinase SYK ✓ ✓

Indications

Hemorrhage Arthritis, Rheumatoid Purpura, Thrombocytopenic, Idiopathic Anemia, Hemolytic, Autoimmune Glomerulonephritis, IGA Hidradenitis Suppurativa Lymphoma, Large B-Cell, Diffuse Primary Myelofibrosis Severe Acute Respiratory Syndrome Bronchiolitis Obliterans Syndrome Hematologic Neoplasms Lymphoma Ovarian Neoplasms Pneumonia

ATC Classification

B02BX09
fostamatinib
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: ANTIHEMORRHAGICS

Activity Summary

Kd 18 meas. best 7.39
IC50 7 meas. best 7.77
Ki 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 7.77 6.884 17.0 5
Tyrosine-protein kinase SYK
CHEMBL2599
 Ki 7.52 7.52 30.0 1
Serine/threonine-protein kinase Nek9
CHEMBL5257
 Kd 7.39 7.39 41.0 1
Broad substrate specificity ATP-binding cassette transporter ABCG2
CHEMBL5393
 IC50 7.3 7.3 50.0 1
Non-receptor tyrosine-protein kinase TNK1
CHEMBL5334
 Kd 6.8 6.8 160.0 1
Aurora kinase A
CHEMBL4722
 Kd 6.52 6.52 300.0 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
 Kd 6.24 6.24 570.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 Kd 6.07 6.07 843.0 1
AarF domain-containing protein kinase 1
CHEMBL4105885
 Kd 5.97 5.97 1071.0 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 Kd 5.94 5.94 1147.0 1
Interleukin-1 receptor-associated kinase 3
CHEMBL5081
 Kd 5.89 5.89 1290.0 1
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
CHEMBL3529
 Kd 5.88 5.88 1320.0 1
Mitogen-activated protein kinase 9
CHEMBL4179
 Kd 5.81 5.81 1533.0 1
Mitogen-activated protein kinase 8
CHEMBL2276
 Kd 5.7 5.7 2011.0 1
Serine/threonine-protein kinase LATS1
CHEMBL6167
 Kd 5.67 5.67 2157.0 1
Macrophage-stimulating protein receptor
CHEMBL2689
 Kd 5.67 5.67 2132.0 1
Serine/threonine-protein kinase 16
CHEMBL3938
 Kd 5.61 5.61 2484.0 1
Mitogen-activated protein kinase kinase kinase 11
CHEMBL2708
 Kd 5.6 5.6 2506.0 1
Aurora kinase B
CHEMBL2185
 Kd 5.59 5.59 2550.0 1
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
CHEMBL1770034
 Kd 5.58 5.58 2635.0 1
Focal adhesion kinase 1
CHEMBL2695
 Kd 5.27 5.27 5400.0 1
Bromodomain testis-specific protein
CHEMBL1795185
 IC50 4.68 4.68 21000.0 1

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.015 - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 17.0 nM 7.77 Inhibition of SYK (unknown origin) 27559828
Tyrosine-protein kinase SYK IC50 = 17.0 nM 7.77 Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) u... 23350847
Tyrosine-protein kinase SYK Ki = 30.0 nM 7.52 Binding affinity to SYK (unknown origin) assessed as inhibition constant 36155354
Tyrosine-protein kinase SYK IC50 = 41.0 nM 7.39 Inhibition of SYK (unknown origin) 36155354
Serine/threonine-protein kinase Nek9 Kd = 41.0 nM 7.39 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Broad substrate specificity ATP-binding cassette transporter ABCG2 IC50 = 50.0 nM 7.3 Inhibition of human ABCG2 expressing membrane vesicles assessed inhibition of BC... 35483322
Non-receptor tyrosine-protein kinase TNK1 Kd = 160.0 nM 6.8 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Tyrosine-protein kinase SYK IC50 = 267.0 nM 6.57 Inhibition of SYK in human Ramos cells 23350847
Aurora kinase A Kd = 300.0 nM 6.52 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Serine/threonine-protein kinase PLK4 Kd = 570.0 nM 6.24 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Receptor-type tyrosine-protein kinase FLT3 Kd = 843.0 nM 6.07 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
AarF domain-containing protein kinase 1 Kd = 1071.0 nM 5.97 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Proto-oncogene tyrosine-protein kinase receptor Ret Kd = 1147.0 nM 5.94 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Interleukin-1 receptor-associated kinase 3 Kd = 1290.0 nM 5.89 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Inhibitor of nuclear factor kappa-B kinase subunit epsilon Kd = 1320.0 nM 5.88 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase 9 Kd = 1533.0 nM 5.81 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase 8 Kd = 2011.0 nM 5.7 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Serine/threonine-protein kinase LATS1 Kd = 2157.0 nM 5.67 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Macrophage-stimulating protein receptor Kd = 2132.0 nM 5.67 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Serine/threonine-protein kinase 16 Kd = 2484.0 nM 5.61 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878

Literature References

PubMed DOI Target Context # Activities
29191878 10.1126/science.aan4368 Unchecked 5
23350847 10.1021/jm301720p Tyrosine-protein kinase SYK 3
23350847 10.1021/jm301720p Unchecked 3
23350847 10.1021/jm301720p Liver microsomes 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
36155354 10.1016/j.ejmech.2022.114742 Tyrosine-protein kinase SYK 2
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL1 1
29191878 10.1126/science.aan4368 Actin-related protein 2 1
29191878 10.1126/science.aan4368 Long-chain-fatty-acid--CoA ligase 5 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 1 1
29191878 10.1126/science.aan4368 Very long-chain specific acyl-CoA dehydrogenase, mitochondrial 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 11 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 10 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL2 1
35749986 10.1016/j.ejmech.2022.114551 Rattus norvegicus 1
24520947 10.1021/jm401982j Mus musculus 1
23350847 10.1021/jm301720p No relevant target 1
23350847 10.1021/jm301720p Caco-2 1
23350847 10.1021/jm301720p Plasma 1
23350847 10.1021/jm301720p Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine