AMINOGLUTETHIMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L02BG01
UNII 0O54ZQ14I9
EPA CompTox DTXSID8022589

Structure

InChI Key ROBVIMPUHSLWNV-UHFFFAOYSA-N
Smiles CCC1(c2ccc(N)cc2)CCC(=O)NC1=O
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H16N2O2
Molecular Weight 232.28
AlogP 1.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 72.19
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Cytochrome P450 11A1 inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 11 Cytochrome P450 family 11A Cytochrome P450 11A1
- - - - 14-85
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
260 5.2-270 - 470-680 32.5-90
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 52.33-77
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - - 14-85
Cricetulus griseus
- - - - 52.33-77
Homo sapiens
- 5.2-270 - 470-680 32.5-90
Rattus norvegicus
- 82.9 - - 12-80

Target Conservation

Protein: Cytochrome P450 19A1
Description: Aromatase
Organism : Homo sapiens
P11511 ENSG00000137869

Related Entries

Cross References

Resources Reference
ChEBI 2654
ChEMBL CHEMBL488
DrugBank DB00357
DrugCentral 164
FDA SRS 0O54ZQ14I9
Human Metabolome Database HMDB0014501
Guide to Pharmacology 7054
KEGG C07617
PharmGKB PA448375
PubChem 2145
SureChEMBL SCHEMBL4306
ZINC ZINC01530856
CONTENTS