Details of the Drug

General Information of Drug (ID: DM0CTG7)

Drug Name

N,N'-Bis-(4-ethyl-phenyl)-guanidine

Synonyms

CHEMBL78083; Guanidine, N,N'-bis(4-ethylphenyl)-; 128413-47-8; ACMC-20msu7; SCHEMBL6155127; SCHEMBL10825147; CTK0C1708; DTXSID70563854; 1,3-Bis(4-ethylphenyl)guanidine; N,N''-Bis(4-ethylphenyl)guanidine; BDBM50010736; ZINC13733770; AKOS030602502

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

267.37

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C17H21N3
IUPAC Name: 1,2-bis(4-ethylphenyl)guanidine
Canonical SMILES: CCC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)CC)N
InChI: InChI=1S/C17H21N3/c1-3-13-5-9-15(10-6-13)19-17(18)20-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
InChIKey: DXGARAMIKHFTJV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 14771671
CAS Number: 128413-47-8
TTD ID: D04JJL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and pharmacological evaluation of N,N'-diarylguanidines as potent sodium channel blockers and anticonvulsant agents. J Med Chem. 1998 Aug 13;41(17):3298-302.