Details of the Drug

General Information of Drug (ID: DMONGIR)

• Drug Name: Tosyl-l-arginine methyl ester
• Synonyms: Tame; 901-47-3; Methyl P-toluenesulfonyl-L-argininate; Ts-Arg-OMe; tosyl-arginine methyl ester; UNII-1H7BKF44U1; p-toluenesulfonyl-L-arginine methyl ester; tosyl-L-arginine methyl ester; CHEMBL44752; methyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate; 1H7BKF44U1; CHEBI:62167; methyl N(2)-(p-tosyl)-L-argininate; p-toluensulfonyl-L-arginine methyl ester; N(alpha)-p-tosyl-L-arginine methyl ester; (S)-methyl 5-guanidino-2-(4-methylphenylsulfonamido)pentanoate; methyl N(2)-(p-toluenenesulfonyl)-L-argininate; methyl N(2)-[(p-tolyl)sulphonyl]-L-argininate; N(2)-(p-tolylsulfonyl)-L-arginine methyl ester; methyl N(2)-[(4-methylphenyl)sulfonyl]-L-argininate; L-Arginine, N2-((4-methylphenyl)sulfonyl)-, methyl ester; TOSYLARGININE METHYL ESTER; TAME/; SCHEMBL324561; p-tosyl-l-arginine methyl ester; Nalpha-tosylarginine methyl ester; BCPP000052; ZINC1639578; ABP000326; BDBM50070707; s2225; AKOS030214485; CCG-264948; CS-0466; alpha-N-p-Tosyl-L-arginine methyl ester; NCGC00346615-01; HY-13255; SW219688-1; X7573; N-alpha-Toluenesulfonyl-L-arginine methyl ester; W-5260; AB01566842_01; p-TOLUENESULFONYL-L-ARGININE METHYL ESTER HCl; Q27131658; (S)-5-Guanidino-2-(toluene-4-sulfonylamino)-pentanoic acid methyl ester

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 342.42
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C14H22N4O4S
  IUPAC Name: methyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)OC
  InChI: InChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1
  InChIKey: FKMJXALNHKIDOD-LBPRGKRZSA-N
• Cross-matching ID:
  PubChem CID: 1550286
  ChEBI ID: CHEBI:62167
  CAS Number: 901-47-3
  TTD ID: DSU7K2

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cell division cycle protein 20 homolog (CDC20)	TTBKFDV	CDC20_HUMAN	Inhibitor	[2]

References

• [1] Emerging therapies targeting the ubiquitin proteasome system in cancer. J Clin Invest. 2014 Jan;124(1):6-12.
• [2] Targeting Cdc20 as a novel cancer therapeutic strategy. Pharmacol Ther. 2015 Jul;151:141-51.