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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

339.9

Topological Polar Surface Area

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
CAS Number: 137160-11-3
TTD ID: D01HTH

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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4	Amphetamine inhibits the N-methyl-D-aspartate receptor-mediated responses by directly interacting with the receptor/channel complex. J Pharmacol Exp Ther. 2002 Mar;300(3):1008-16.
5	Ketamine modulates theta and gamma oscillations. J Cogn Neurosci. 2010 Jul;22(7):1452-64.
6	Molecular determinants of the anticonvulsant felbamate binding site in the N-methyl-D-aspartate receptor. J Med Chem. 2008 Mar 27;51(6):1534-45.
7	The NMDA receptor antagonist memantine as a symptomatological and neuroprotective treatment for Alzheimer's disease: preclinical evidence. Int J Geriatr Psychiatry. 2003 Sep;18(Suppl 1):S23-32.
8	Progress report on new antiepileptic drugs: a summary of the Ninth Eilat Conference (EILAT IX). Epilepsy Res. 2009 Jan;83(1):1-43.
9	Magnesium sulfate diminishes the effects of amide local anesthetics in rat sciatic-nerve block. Reg Anesth Pain Med. 2007 Jul-Aug;32(4):288-95.
10	Emerging drugs for acute ischemic stroke. Expert Opin Emerg Drugs. 2009 Mar;14(1):33-42.