Details of the Drug

General Information of Drug (ID: DMEVBZW)

• Drug Name: AC1LFXA6
• Synonyms: 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine; CHEMBL1449583; AC1LFXA6; ChemDiv1_022121; CBMicro_008460; AC1Q2H4W; Oprea1_720651; MLS001197334; SCHEMBL2031646; HMS649N11; HMS2885F10; ZINC232263; SMSF0013139; STL335355; BDBM50069104; AKOS001615822; CCG-107154; MCULE-2061703540; SMR000555270; 315231-02-8; BIM-0008433.P001; SR-01000439027; SR-01000439027-1; 3-(3-methylphenyl)-2,4-diazatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 260.3
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H16N2
  IUPAC Name: 2-(3-methylphenyl)-2,3-dihydro-1H-perimidine
  Canonical SMILES: CC1=CC(=CC=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2
  InChI: InChI=1S/C18H16N2/c1-12-5-2-8-14(11-12)18-19-15-9-3-6-13-7-4-10-16(20-18)17(13)15/h2-11,18-20H,1H3
  InChIKey: HPFJVSRZYNTHHT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 761639
  TTD ID: D04LWZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serine protease hepsin (HPN)	TT25MVL	HEPS_HUMAN	Inhibitor	[1]

References

• [1] Hepsin inhibitors. US9182402.