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]
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
ChEBI ID
CHEMBL40929
CAS Number
1672-93-1
TTD ID
D0R9AD
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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]
Molecular Interaction Atlas (MIA) 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.