AMG-208

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Search structure


Synonyms	Amg 208 Amg-208 Amg208
Status
Molecule Category	UNKNOWN
UNII	Y2SR66P7VM
EPA CompTox	DTXSID70143039


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	HEAIZQNMNCHNFD-UHFFFAOYSA-N
Smiles	COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChI	InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H17N5O2
Molecular Weight	383.41
AlogP	3.93
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	5.0
Polar Surface Area	74.43
Molecular species	NEUTRAL
Aromatic Rings	5.0
Heavy Atoms	29.0

Bioactivity

Mechanism of Action	Action	Reference
Hepatocyte growth factor receptor inhibitor	INHIBITOR	PubMed Other


Protein: Hepatocyte growth factor receptor Description: Hepatocyte growth factor receptor Organism : Homo sapiens P08581 ENSG00000105976

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4	-	4100-32000	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family	-	9-46	-	-	-

Assay Description	Organism	Bioactivity	Reference
Inhibition of c-Met by HTRF assay	None	9.0 nM
Inhibition of HGF-mediated c-Met phosphorylation in serum-starved human PC2 cells	Homo sapiens	46.0 nM
Inhibition of c-Met by HTRF assay	None	9.0 nM
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay	Homo sapiens	46.0 nM
Inhibition of human c-MET	Homo sapiens	9.0 nM
Inhibition of recombinant c-Met kinase domain (unknown origin) incubated for 30 mins using gastrin peptide substrate by HTRF assay	Homo sapiens	9.0 nM
Inhibition of c-Met (unknown origin)	Homo sapiens	9.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	28.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	2.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	0.05 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	12.91 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.14 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.14 %

Cross References

Resources	Reference
ChEBI	90626
ChEMBL	CHEMBL496102
DrugBank	DB08079
FDA SRS	Y2SR66P7VM
PDB	L5G
PubChem	24864821
SureChEMBL	SCHEMBL9910136
ZINC	ZINC000034285235

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).