PROTIONAMIDE

/static/temp/default.svg

Search structure


Synonyms	Ektebin NSC-758962 Peteha Prothionamide Protionamide Protionamidum RP 9778 RP-9778 TH-1321 Trevintix
Status
Molecule Category	UNKNOWN
ATC	J04AD01
UNII	76YOO33643
EPA CompTox	DTXSID7045940


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

Structure


InChI Key	VRDIULHPQTYCLN-UHFFFAOYSA-N
Smiles	CCCc1cc(C(N)=S)ccn1
InChI	InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H12N2S
Molecular Weight	180.28
AlogP	1.67
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	38.91
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	12.0

Assay Description	Organism	Bioactivity	Reference
Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction of melanin production at 10 uM relative to control	Mus musculus	105.0 %
Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction of melanin production at 20 uM relative to control	Mus musculus	103.0 %
Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction of melanin production at 50 uM relative to control	Mus musculus	100.0 %
Inhibition of tyrosinase in mouse B16F10 cell lysates using DOPA as substrate relative to control	Mus musculus	84.0 %
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	30.32 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	-2.174 %
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	0.1 %		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	0.1 %

Related Entries

Cross References

Resources	Reference
ChEBI	32066
ChEMBL	CHEMBL1378024
DrugBank	DB12667
DrugCentral	2314
FDA SRS	76YOO33643
PubChem	666418
SureChEMBL	SCHEMBL74572
ZINC	ZINC000003874803

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).