General Information of the Compound
Compound ID
CP0007082
Compound Name
(R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester
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Synonyms
(+)-Ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate
(+)-Etomidate
(R)-(+)-1-(alpha-Methylbenzyl)imidazole-5-carboxylic acid ethyl ester
(d)-Etomidate
1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester
1-(1-Phenylethyl)-imidazole-5-carboxylic acid, ethyl ester
1-(alpha-Methylbenzyl)-1H-imidazole-5-carboxylic acid ethyl ester
1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, ethyl ester
3-(1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl ester
Absele
Amidate
Amidate (TN)
Amidate (pharmaceutical)
Amidate, Etomidate
D-Etomidate
Ethnor
Ethomidate
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
Ethyl 3-(1-phenylethyl)imidazole-4-carboxylate
Etomidate
Etomidate (USAN/INN)
Etomidate [USAN:BAN:INN]
Etomidato
Etomidato [INN-Spanish]
Etomidatum
Etomidatum [INN-Latin]
Etomidic acid
Hypnomidate
R 16659
R 26490
R-(+)-Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
R-26490
R26490
Radenarcon
Radenarkon
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Structure
Formula
C14H16N2O2
Molecular Weight
244.294
Canonical SMILES
CCOC(=O)c1cncn1[C@H](C)c1ccccc1
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InChI
InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
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InChIKey
NPUKDXXFDDZOKR-LLVKDONJSA-N
CAS
33125-97-2
Physicochemical Property
logP
2.6691
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
44.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 667484
SID: 12013395
ChEMBL ID
CHEMBL681
DrugBank ID
DB00292
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Etomidate )
Drug Name Etomidate
Company Janssen Pharmaceutica
Indication
Anaesthesia
Approved