MK-8033

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Synonyms
Status
Molecule Category Free-form
UNII 350H6PBQ5Q
EPA CompTox DTXSID00143002

Structure

InChI Key VMJFTOSOFDEKTM-UHFFFAOYSA-N
Smiles Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1
InChI
InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H21N5O3S
Molecular Weight 471.54
AlogP 3.16
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 106.84
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 31
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - - - 60
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - - - 60
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fer family
- - - - 60
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 0.6-582 3.2-10.4 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- - - - 60
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.6-582 3.2-10.4 - 31-60

Target Conservation

Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976
Protein: Macrophage-stimulating protein receptor
Description: Macrophage-stimulating protein receptor
Organism : Homo sapiens
Q04912 ENSG00000164078

Cross References

Resources Reference
ChEMBL CHEMBL2323775
FDA SRS 350H6PBQ5Q
PubChem 45142457
SureChEMBL SCHEMBL400306
ZINC ZINC000068203670
CONTENTS