AMG-517

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Search structure


Synonyms	Amg-517
Status
Molecule Category	Free-form
UNII	172V4FBZ75
EPA CompTox	DTXSID90216178

Structure


InChI Key	YUTIXVXZQIQWGY-UHFFFAOYSA-N
Smiles	CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
InChI	InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H13F3N4O2S
Molecular Weight	430.41
AlogP	5.52
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	77.0
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	30.0

Pharmacology

Mechanism of Action	Action	Reference
Vanilloid receptor antagonist	ANTAGONIST	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Transient receptor potential channel	-	0.5-1.3	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.6-1.3	-	-	-
Rattus norvegicus	-	0.5-0.9	-	-	-

Target Conservation


Protein: Vanilloid receptor Description: Transient receptor potential cation channel subfamily V member 1 Organism : Homo sapiens Q8NER1 ENSG00000196689

Cross References

Resources	Reference
ChEMBL	CHEMBL229430
FDA SRS	172V4FBZ75
Guide to Pharmacology	4129
PubChem	16007367
SureChEMBL	SCHEMBL1042780
ZINC	ZINC000014974132

CONTENTS

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025