Details of the Drug

General Information of Drug (ID: DMFDXLB)

• Drug Name: N,N'-Bis-(4-sec-butyl-phenyl)-guanidine
• Synonyms: CHEMBL110909; CHEMBL320199; SCHEMBL4979578; BDBM50066057; 1,3-Bis(4-sec-butylphenyl)guanidine; AKOS030602595; N,N''-Bis-(4-sec-butyl-phenyl)-guanidine

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 323.5
  Logarithm of the Partition Coefficient (xlogp); 5.7
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C21H29N3
  IUPAC Name: 1,2-bis(4-butan-2-ylphenyl)guanidine
  Canonical SMILES: CCC(C)C1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C(C)CC)N
  InChI: InChI=1S/C21H29N3/c1-5-15(3)17-7-11-19(12-8-17)23-21(22)24-20-13-9-18(10-14-20)16(4)6-2/h7-16H,5-6H2,1-4H3,(H3,22,23,24)
  InChIKey: CSOJBDHYOONOPF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10526122
  TTD ID: D0U8BM
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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]

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.