Details of the Drug

General Information of Drug (ID: DMPKI0N)

Drug Name
EBIO
Synonyms
10045-45-1; 1-Ethyl-2-benzimidazolinone; 1-EBIO; 1-ethyl-1H-benzo[d]imidazol-2(3H)-one; 1-Ethylbenzimidazolinone; 1-Ethylbenzimidazolin-2-one; 1-ethyl-1,3-dihydro-2h-benzimidazol-2-one; 2H-Benzimidazol-2-one, 1-ethyl-1,3-dihydro-; 1-Ethyl-Benzimidazolinone; UNII-M82W79SS4W; 3-ethyl-1H-benzimidazol-2-one; EINECS 233-148-1; CHEMBL452887; M82W79SS4W; CHEBI:34076; CXUCKELNYMZTRT-UHFFFAOYSA-N; 1-ethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one; 1-EB10; EBIO; 1-ethyl-1,3-dihydrobenzimidazol-2-one; Tocris-1041; AC1Q2ZX3; AC1Q2ZX4
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 162.19
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C9H10N2O
IUPAC Name
3-ethyl-1H-benzimidazol-2-one
Canonical SMILES
CCN1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)
InChIKey
CXUCKELNYMZTRT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
82320
ChEBI ID
CHEMBL452887
CAS Number
10045-45-1
TTD ID
D0T0AG
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
Calcium-activated potassium channel KCa2.1 (KCNN1) TT9R6BE KCNN1_HUMAN Activator [2]
Calcium-activated potassium channel KCa2.2 (KCNN2) TT2T5M0 KCNN2_HUMAN Activator [2]
Calcium-activated potassium channel KCa2.3 (KCNN3) TT9JH25 KCNN3_HUMAN Activator [2]
Calcium-activated potassium channel KCa3.1 (KCNN4) TT7M9I6 KCNN4_HUMAN Activator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Calcium-activated potassium channel KCa2.2 (KCNN2) DTT KCNN2 5.17E-02 1.41E-02 0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 2314).
2 Small conductance calcium-activated potassium channels: from structure to function. Prog Neurobiol. 2010 Jul;91(3):242-55.