NORELGESTROMIN

Search structure
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Parent
UNII: R0TAY3X631

Structure
InChI Key ISHXLNHNDMZNMC-VTKCIJPMSA-N
Smile C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChI
InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15+/t16-,17+,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H29NO2
Molecular Weight 327.47
AlogP 4.14
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 52.82
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Progesterone receptor agonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
25100 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 2 D015658 ClinicalTrials
Pregnancy 2 D011247 ClinicalTrials
Metrorrhagia 2 D008796 ClinicalTrials

Related Entries

Scaffolds

Mixture

Cross References

Resources Reference
CAS NUMBER 53016-31-2
ChEMBL CHEMBL1200807
EPA CompTox DTXSID9046788
FDA SRS R0TAY3X631
PubChem 62930
SureChEMBL SCHEMBL3163347
ZINC ZINC000003973186
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