Details of the Drug

General Information of Drug (ID: DM1IZA7)

Drug Name
Benzimidazole
Synonyms
BENZIMIDAZOLE; 51-17-2; 1H-Benzimidazole; 1H-Benzo[d]imidazole; 1,3-Benzodiazole; Benzoimidazole; o-Benzimidazole; 3-Azaindole; Benziminazole; Benzoglyoxaline; Azindole; 1,3-Diazaindene; 1H-Benzoimidazole; N,N'-Methenyl-o-phenylenediamine; NSC 759; Benzimidazol; 1H-1,3-benzodiazole; BZI; UNII-E24GX49LD8; CCRIS 5967; Benzimidazole, 98%; CHEBI:41275; HSDB 2797; EINECS 200-081-4; BRN 0109682; AI3-03737; E24GX49LD8; HYZJCKYKOHLVJF-UHFFFAOYSA-N; DSSTox_CID_4573; DSSTox_RID_77454; DSSTox_GSID_24573; F3366-5347; CAS-51-17-2; bezimidazole
Indication
Disease Entry ICD 11 Status REF
Cytomegalovirus Disease 1D82 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 118.14
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C7H6N2
IUPAC Name
1H-benzimidazole
Canonical SMILES
C1=CC=C2C(=C1)NC=N2
InChI
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChIKey
HYZJCKYKOHLVJF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5798
ChEBI ID
CHEMBL41275
CAS Number
51-17-2
UNII
E24GX49LD8
DrugBank ID
DB02962
TTD ID
D03TFJ
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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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A) TTSBVFO DYR1A_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
2 Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) inhibitors: a survey of recent patent literature.Expert Opin Ther Pat. 2017 Nov;27(11):1183-1199.