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]
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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: CHEBI:34076
CAS Number: 10045-45-1
TTD ID: D0T0AG

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Lysozyme C (LYZ)	OTD7H0G6	LYSC_HUMAN	Protein Interaction/Cellular Processes	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.
3	Regulation of antiprotease and antimicrobial protein secretion by airway submucosal gland serous cells. J Biol Chem. 2004 Sep 10;279(37):38854-60. doi: 10.1074/jbc.M407077200. Epub 2004 Jul 2.