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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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
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

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