Details of the Drug

General Information of Drug (ID: DMX9AGF)

• Drug Name: GRL0617
• Synonyms: 5-Amino-2-Methyl-N-[(1r)-1-Naphthalen-1-Ylethyl]benzamide; GRL-0617; 5-Amino-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide; 5-Amino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide; 5-Amino-2-methyl-N-(1R-naphthalen-1-yl-ethyl)-benzamide; CHEMBL549695; SCHEMBL1319181; BDBM31524; GTPL11078; CHEBI:167176; 5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; EX-A4032; GRL 0617; s6845; ZINC43012570; AKOS015840255; AKOS015924263; DB08656; compound 25 [PMID: 19645480]; NCGC00188640-01; Naphthalene and Benzamide Derivative, 25; HY-117043; CS-0063568; Q27097846

Indication

Disease Entry	ICD 11	Status	REF
Coronavirus infection	1D92	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 304.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C20H20N2O
  IUPAC Name: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
  Canonical SMILES: CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32
  InChI: InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
  InChIKey: UVERBUNNCOKGNZ-CQSZACIVSA-N
• Cross-matching ID:
  PubChem CID: 24941262
  ChEBI ID: CHEMBL549695
  UNII: SQH4947NDN
  DrugBank ID: DB08656
  TTD ID: D5I3MF
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
COVID-19 papain-like proteinase (PL-PRO)	TTNHMO8	R1AB_SARS2 (819-2763)	Inhibitor	[2]

References

• [1] Coronaviruses - drug discovery and therapeutic options. Nat Rev Drug Discov. 2016 May;15(5):327-47.
• [2] Crystal structure of SARS-CoV-2 papain-like protease. Acta Pharm Sin B. 2021 Jan;11(1):237-245.