NORGESTREL

Search structure
Trade Names:
Synonyms:
Status: Approved (1968)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 3J8Q1747Z2

Structure
InChI Key WWYNJERNGUHSAO-CULCCENASA-N
Smile C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChI
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28O2
Molecular Weight 312.45
AlogP 3.88
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Progesterone receptor agonist Expert
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Secreted protein
- - 1 - -
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
- 19 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 103

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Endometrial Neoplasms 2 D016889 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
26.67
Vascular disorders
20.0
Gastrointestinal disorders
13.33
Immune system disorders
13.33
General disorders and administration site conditions
6.67
Investigations
6.67
Renal and urinary disorders
6.67
Skin and subcutaneous tissue disorders
6.67

Cross References

Resources Reference
CAS NUMBER 6533-00-2
ChEMBL CHEMBL2107797
FDA SRS 3J8Q1747Z2
SureChEMBL SCHEMBL37118
CONTENTS