Details of the Drug

General Information of Drug (ID: DMF1264)

• Drug Name: Aptiganel HCl
• Synonyms: Cerestat; CNS-1102; Aptiganel HCl; APTIGANEL HYDROCHLORIDE; UNII-40PWH14OXW; Cns 1102; 137160-11-3; 40PWH14OXW; NCGC00093759-01; DSSTox_CID_25762; DSSTox_RID_81104; DSSTox_GSID_45762; CHEMBL554054; N-(1-Naphthyl)-N'-(3-ethylphenyl)-N'-methylguanidine hcl; SMR000326976; CAS-137160-11-3; AC1Q3CFJ; MLS001056791; MLS000862213; SCHEMBL871689; AC1L1U12; DTXSID9045762; MolPort-003-940-636; CKAKVKWRMCAYJD-UHFFFAOYSA-N; Tox21_500312; Tox21_111220; Tox21_111220_1; AKOS025293480; CCG-221616; LP00312; NCGC00015236-04; NCGC00260997-01; CNS-1102, >9

Indication

Disease Entry	ICD 11	Status	REF
Ischemic stroke	8B11.5Z	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 339.9
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 1
• Chemical Identifiers:
  Formula: C20H22ClN3
  IUPAC Name: 1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride
  Canonical SMILES: CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N.Cl
  InChI: InChI=1S/C20H21N3.ClH/c1-3-15-8-6-11-17(14-15)23(2)20(21)22-19-13-7-10-16-9-4-5-12-18(16)19;/h4-14H,3H2,1-2H3,(H2,21,22);1H
  InChIKey: CKAKVKWRMCAYJD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 60839
  ChEBI ID: CHEMBL554054
  CAS Number: 137160-11-3
  TTD ID: D01HTH
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-methyl-D-aspartate receptor (NMDAR)	TT9IK2Z	NOUNIPROTAC	Antagonist	[1]

References

• [1] Neuroprotective agents for the treatment of acute ischemic stroke. Curr Neurol Neurosci Rep. 2003 Jan;3(1):9-20.