Details of the Drug

General Information of Drug (ID: DMM38BC)

Drug Name

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

Synonyms

CHEMBL81626; SCHEMBL6154563; BDBM50010754; ZINC13733773; 1,3-Bis(4-isopropylphenyl)guanidine

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)

295.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C19H25N3
IUPAC Name: 1,2-bis(4-propan-2-ylphenyl)guanidine
Canonical SMILES: CC(C)C1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C(C)C)N
InChI: InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)
InChIKey: WIULPOAMZNPPJM-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.