Details of the Drug

General Information of Drug (ID: DMXOYK0)

Drug Name

arcaine

Synonyms

arcaine; Tetramethylenediguanide; 1,4-Diguanidinobutane; N,N'''-1,4-Butanediylbisguanidine; Arcain; 544-05-8; 1-(4-guanidinobutyl)guanidine; CHEMBL102740; CHEBI:16652; 1,1'-(butane-1,4-diyl)diguanidine; Guanidine, N,N'''-1,4-butanediylbis-; A-8340; 1-(4-carbamimidamidobutyl)guanidine; 58585-47-0; 2,2'-butane-1,4-diyldiguanidine; Tocris-0389; Spectrum_001819; Prestwick2_000876; Spectrum5_001638; Prestwick1_000876; Prestwick0_000876; Spectrum3_001100; Spectrum2_000601; Prestwick3_000876; Spectrum4_001929; Lopac-A-0384

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

172.23

Logarithm of the Partition Coefficient (xlogp)

-2.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C6H16N6
IUPAC Name: 2-[4-(diaminomethylideneamino)butyl]guanidine
Canonical SMILES: C(CCN=C(N)N)CN=C(N)N
InChI: InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
InChIKey: HGMDNMBBCKDWTQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2227
ChEBI ID: CHEBI:16652
CAS Number: 544-05-8
TTD ID: D0S6HI
VARIDT ID: DR01015

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acid-sensing ion channel 3 (ASIC3)	TTLGDIS	ASIC3_HUMAN	Activator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4137).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 686).