NORETHINDRONE ACETATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 9S44LIC7OJ
EPA CompTox DTXSID4023381
Parent Compound: NORETHINDRONE

Structure

InChI Key IMONTRJLAWHYGT-ZCPXKWAGSA-N
Smiles C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChI
InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28O3
Molecular Weight 340.46
AlogP 4.06
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor agonist AGONIST PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 104.95-106.88
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 104.95-106.88

Target Conservation

Protein: Progesterone receptor
Description: Progesterone receptor
Organism : Homo sapiens
P06401 ENSG00000082175

Cross References

Resources Reference
ChEBI 7628
ChEMBL CHEMBL1201146
DrugCentral 1963
FDA SRS 9S44LIC7OJ
KEGG C08152
PubChem 5832
SureChEMBL SCHEMBL37530
ZINC ZINC000001849528
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