General Information of the Compound
Compound ID
CP0040176
Compound Name
3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione
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Synonyms
(+-)-3-(p-Aminophenyl)-3-ethyl-2,6-piperidinedione
(+/-)-p-AMINOGLUTETHIMIDE
(inverted question mark)-p-Aminoglutethimide
2-(p-Aminophenyl)-2-ethylglutarimide
3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion
3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione
3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine
A 9657
AG-1
Alpha-(p-Aminophenyl)-alpha-ethylglutarimide
Aminoglutethimide
Aminoglutethimide (AG)
Aminoglutethimide (USP/INN)
Aminoglutethimide [INN:BAN]
Aminoglutethimidum
Aminoglutethimidum [INN-Latin]
Aminoglutetimida
Aminoglutetimida [INN-Spanish]
Ba 16038
Ba-16038
C 16038-BA
Ciba Vision Brand of Aminoglutethimide
Cytadren
Cytadren (TN)
Dl-Aminoglutethimide
Elipten
Glutethimide, para-amino
Novartis Brand of Aminoglutethimide
Orimeten
P-Aminoglutethimide
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Structure
Formula
C13H16N2O2
Molecular Weight
232.283
Canonical SMILES
CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
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InChI
InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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InChIKey
ROBVIMPUHSLWNV-UHFFFAOYSA-N
CAS
125-84-8
Physicochemical Property
logP
1.3532
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
72.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 2145
SID: 15068844
ChEMBL ID
CHEMBL488
DrugBank ID
DB00357
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 794.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 16360.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Aminoglutethimide )
Drug Name Aminoglutethimide
Company Norvatis Phamaceuticals Corporation
Indication
Cushing disease
Approved
Target(s)
Aromatase (CYP19A1)
Inhibitor