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
  ChEBI ID: CHEMBL384295
  CAS Number: 73438-63-8
  TTD ID: D01TWD
• 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
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.