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Compound Detail

CHEMBL2103851

AMUVATINIB
🧪 Phase II
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🧪 Phase II
S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2103851
Name AMUVATINIB
Phase Phase II
Structure Type MOL
InChI Key FOFDIMHVKGYHRU-UHFFFAOYSA-N

Known Names

Amuvatinib HPK 56 HPK-56 HPK56 MP 470 MP-470 MP470
3
Targets
7
Activities
2
Assay Types
3
PK Parameters
20
Publications
7
Known Names
2
Indications
4
Mechanisms

Molecular Properties

447.5
MW (Da)
3.30
ALogP
7
HBA
1
HBD
75.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -tinib
USAN Year 2010

Extended Properties

Molecular Formula C23H21N5O3S
MW 447.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.19

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Tyrosine-protein kinase receptor FLT3 inhibitor INHIBITOR Receptor-type tyrosine-protein kinase FLT3 ✓ ✓
Stem cell growth factor receptor inhibitor INHIBITOR Mast/stem cell growth factor receptor Kit ✓ ✓
Hepatocyte growth factor receptor inhibitor INHIBITOR Hepatocyte growth factor receptor ✓ ✓
Platelet-derived growth factor receptor alpha inhibitor INHIBITOR Platelet-derived growth factor receptor alpha ✓ ✓

Indications

Small Cell Lung Carcinoma Neoplasms

Activity Summary

IC50 5 meas. best 7.7
EC50 2 meas. best 4.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SARS-CoV-2
CHEMBL4303835
 IC50 7.7 7.7 20.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 5.8 5.8 1600.0 2
Platelet-derived growth factor receptor alpha
CHEMBL2007
 IC50 5.68 5.6 2100.0 2
Platelet-derived growth factor receptor alpha
CHEMBL2007
 EC50 4.57 4.57 27163.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 EC50 4.5 4.5 31257.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 7910.0 ng.hr.mL-1 Rattus norvegicus
Cmax 1586.52 nM Rattus norvegicus
Tmax 11.3 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SARS-CoV-2 IC50 = 20.0 nM 7.7 Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... -
Mast/stem cell growth factor receptor Kit IC50 = 1600.0 nM 5.8 Inhibition of c-kit gain of function mutant in human GIST882 cells after 96 hrs ... -
Mast/stem cell growth factor receptor Kit IC50 = 1600.0 nM 5.8 Inhibition of c-kit gain of function mutant in human GIST882 cells measured afte... -
Platelet-derived growth factor receptor alpha IC50 = 2100.0 nM 5.68 Inhibition of PDGFRA in human MIAPaCa2 cells measured after 4 days by sulforhoda... -
Platelet-derived growth factor receptor alpha IC50 = 3000.0 nM 5.52 Inhibition of PDGFRA in human PANC1 cells measured after 4 days by sulforhodamin... -
Platelet-derived growth factor receptor alpha EC50 = 27163.0 nM 4.57 Inhibition of PDGFRA (unknown origin) autophosphorylation using [gamma32P]ATP me... -
Mast/stem cell growth factor receptor Kit EC50 = 31257.0 nM 4.5 Inhibition of c-kit (unknown origin) autophosphorylation using [gamma32P]ATP mea... -

Literature References

PubMed DOI Target Context # Activities
29191878 10.1126/science.aan4368 Unchecked 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
29191878 10.1126/science.aan4368 Actin-related protein 2 1
29191878 10.1126/science.aan4368 Beta-adrenergic receptor kinase 1 1
29191878 10.1126/science.aan4368 Adenosine kinase 1
38157838 10.1016/j.bmc.2023.117561 Unchecked 1
29191878 10.1126/science.aan4368 Activin receptor type-2B 1
29191878 10.1126/science.aan4368 Activin receptor type-1B 1
29191878 10.1126/science.aan4368 Activin receptor type-1 1
29191878 10.1126/science.aan4368 Actin-related protein 3 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 3 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 1 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
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL1 1

Data from ChEMBL 36 via Core Engine