Details of the Drug

General Information of Drug (ID: DMKSUV9)

• Drug Name: 3-tapap
• Synonyms: 3-Tapap; TAPAP; AC1Q5K4B; AC1L2Q7B; Nalpha-Tosyl-(3-amidinophenyl)alanine piperidide; N(alpha)-(4-Toluenesulfonyl)-3-amidinophenylalanylpiperidine; CHEMBL384295; 80457-09-6; 3-[2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzenecarboximidamide; 1-(3-(3-(Aminoiminomethyl)phenyl)-2-(((4-methylphenyl)sulfonyl)amino)-1-oxopropyl)piperidine; Piperidine, 1-(3-(3-(aminoiminomethyl)phenyl)-2-(((4-methylphenyl)sulfonyl)amino)-1-oxopropyl)-; 73438-63-8; N(alpha)-Tosyl-(3-amidinophenyl)alanine piperidide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 428.5
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H28N4O3S
  IUPAC Name: 3-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=CC=C2)C(=N)N)C(=O)N3CCCCC3
  InChI: InChI=1S/C22H28N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20,25H,2-4,12-13,15H2,1H3,(H3,23,24)
  InChIKey: RNNMXTSTLVYYQG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 126363
  CAS Number: 73438-63-8
  TTD ID: D01TWD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Suppressor of tumorigenicity 14 protein (ST14)	TTPRO7W	ST14_HUMAN	Inhibitor	[1]

References

• [1] Secondary amides of sulfonylated 3-amidinophenylalanine. New potent and selective inhibitors of matriptase. J Med Chem. 2006 Jul 13;49(14):4116-26.