NORETHINDRONE ACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 9S44LIC7OJ
Parent Compound: NORETHINDRONE

Structure
InChI Key IMONTRJLAWHYGT-ZCPXKWAGSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Progesterone receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 800 - - -
Enzyme Transferase
- - - - 17.53-34.89
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -56.9-2.99
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- 646 - 293 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
- 28 - 3.615 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 106 - 71 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 104.95

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 3 D001943 ClinicalTrials
Hemorrhage 3 D006470 ClinicalTrials
Menopause 3 D008593 ClinicalTrials
Pregnancy 3 D011247 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Cystic Fibrosis 1 D003550 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Reproductive system and breast disorders
16.93
General disorders and administration site conditions
14.59
Vascular disorders
10.13
Gastrointestinal disorders
10.04
Nervous system disorders
8.1
Psychiatric disorders
7.25
Musculoskeletal and connective tissue disorders
5.67
Injury, poisoning and procedural complications
4.91
Skin and subcutaneous tissue disorders
4.73
Renal and urinary disorders
3.47
Investigations
3.06
Cardiac disorders
2.48
Respiratory, thoracic and mediastinal disorders
2.25

Cross References

Resources Reference
ChEBI 7628
ChEMBL CHEMBL1201146
DrugCentral 1963
EPA CompTox DTXSID4023381
FDA SRS 9S44LIC7OJ
KEGG C08152
PubChem 5832
SureChEMBL SCHEMBL37530
ZINC ZINC000001849528
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