Details of the Drug

General Information of Drug (ID: DM0RQGU)

Drug Name

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

Synonyms

CHEMBL326741; SCHEMBL4985473; N,N'-Bis(4-hexylphenyl)guanidine; BDBM50066419

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): 2

Molecular Weight (mw)

379.6

Logarithm of the Partition Coefficient (xlogp)

8.3

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C25H37N3
IUPAC Name: 1,2-bis(4-hexylphenyl)guanidine
Canonical SMILES: CCCCCCC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)CCCCCC)N
InChI: InChI=1S/C25H37N3/c1-3-5-7-9-11-21-13-17-23(18-14-21)27-25(26)28-24-19-15-22(16-20-24)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3,(H3,26,27,28)
InChIKey: UVGVWBZLIZBOEY-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.