Details of the Drug

General Information of Drug (ID: DMQ0LF2)

Drug Name

N-(3,5-dichlorophenyl)imidodicarbonimidic diamide

Synonyms

N-(3,5-dichlorophenyl)imidodicarbonimidic diamide; CHEMBL40929; 1672-93-1; Imidodicarbonimidic diamide, N-(3,5-dichlorophenyl)-; 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine; AC1LBJDA; Maybridge1_007061; SCHEMBL891475; CTK7D2196; CTK0E5441; DTXSID50339817; 1-(3,5-dichlorophenyl)biguanide; BUXACHZAYWAZJL-UHFFFAOYSA-N; MolPort-003-943-662; ZINC4370978; ZX-AN037609; ALBB-022022; CCG-43794; STL482580; RJF 00091; BDBM50100971; AKOS003623024; MCULE-3366928787; CCG-245923; Biguanidine, 1-(3,5-dichlorophenyl)-; NCGC00331378-01

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)

246.09

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C8H9Cl2N5
IUPAC Name: 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine
Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)N=C(N)N=C(N)N
InChI: InChI=1S/C8H9Cl2N5/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKey: BUXACHZAYWAZJL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 558969
CAS Number: 1672-93-1
TTD ID: D0R9AD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Integrin alpha-V (ITGAV)	TTT1R2L	ITAV_HUMAN	Inhibitor	[1]
ITGB3 messenger RNA (ITGB3 mRNA)	TTJA1ZO	ITB3_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Emerging targets in osteoporosis disease modification. J Med Chem. 2010 Jun 10;53(11):4332-53.