Details of the Drug

General Information of Drug (ID: DMQWKPM)

• Drug Name: L-375378
• Synonyms: CHEMBL19080; L-37378; 199294-70-7; AC1L4BPU; L-375378; DTXSID80276443; ZINC1487441; BDBM50067797; N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)-1-pyrazinyl]acetamide; A814081; N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide; N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-2-[6-methyl-2-oxidanylidene-3-(2-phenylethylamino)pyrazin-1-yl]ethanamide

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); 406.5
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H26N6O2
  IUPAC Name: N-[(6-amino-2-methylpyridin-3-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
  Canonical SMILES: CC1=CN=C(C(=O)N1CC(=O)NCC2=C(N=C(C=C2)N)C)NCCC3=CC=CC=C3
  InChI: InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)
  InChIKey: PVDHYBJORRALSQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 154118
  CAS Number: 199294-70-7
  TTD ID: D02NHS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cationic trypsinogen (PRSS1)	TT2WR1T	TRY1_HUMAN	Inhibitor	[1]
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]

References

• [1] Small, low nanomolar, noncovalent thrombin inhibitors lacking a group to fill the 'distal binding pocket'. Bioorg Med Chem Lett. 2003 Jan 20;13(2):161-4.