Details of the Drug

General Information of Drug (ID: DMLOP2B)

Drug Name

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

Synonyms

CHEMBL326502; SCHEMBL4983215; n,n'-bis(4-butoxyphenyl)guanidine; BDBM50066423

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): 1

Molecular Weight (mw)

355.5

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H29N3O2
IUPAC Name: 1,2-bis(4-butoxyphenyl)guanidine
Canonical SMILES: CCCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCCCC)N
InChI: InChI=1S/C21H29N3O2/c1-3-5-15-25-19-11-7-17(8-12-19)23-21(22)24-18-9-13-20(14-10-18)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H3,22,23,24)
InChIKey: UEKORNPZBHKKRD-UHFFFAOYSA-N

Cross-matching ID

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)

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.