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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:41275
CAS Number: 51-17-2
UNII: E24GX49LD8
DrugBank ID: DB02962
TTD ID: D03TFJ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.