PRASTERONE

Search structure
Trade Names:
Synonyms:
Status: Approved (2016)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A14AA07
UNII: 459AG36T1B

Structure
InChI Key FMGSKLZLMKYGDP-USOAJAOKSA-N
Smile C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O
InChI
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28O2
Molecular Weight 288.43
AlogP 3.88
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 37.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 77900 - - -
Enzyme Oxidoreductase
- 11300-24900 - 1100-1700 5.7-12.1
Enzyme Transferase
- - - - 6.528
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -23.15--2.12
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Steroid-like ligand receptor
3330 - - - -
Secreted protein
- - 14.45 10000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infertility 3 D007246 ClinicalTrials
Malaria 3 D008288 ClinicalTrials
Sexual Dysfunction, Physiological 3 D012735 ClinicalTrials
Skin Aging 3 D015595 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Adrenal Insufficiency 3 D000309 ClinicalTrials
Genital Neoplasms, Female 3 D005833 ClinicalTrials
Addison Disease 3 D000224 ClinicalTrials
Anorexia Nervosa 3 D000856 ClinicalTrials
Lupus Erythematosus, Systemic 3 D008180 ClinicalTrials
Aging 3 D000375 ClinicalTrials
Menopause 3 D008593 ClinicalTrials
Hot Flashes 2 D019584 ClinicalTrials
Substance Withdrawal Syndrome 2 D013375 ClinicalTrials
Myotonic Dystrophy 2 D009223 ClinicalTrials
Low Back Pain 2 D017116 ClinicalTrials
Primary Ovarian Insufficiency 2 D016649 ClinicalTrials
Primary Ovarian Insufficiency 2 D016649 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Crohn Disease 2 D003424 ClinicalTrials
Erectile Dysfunction 2 D007172 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Stress Disorders, Post-Traumatic 2 D013313 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials
Sarcoma, Synovial 1 D013584 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
27.01
General disorders and administration site conditions
16.29
Reproductive system and breast disorders
13.28
Skin and subcutaneous tissue disorders
8.26
Nervous system disorders
5.3
Gastrointestinal disorders
4.46
Psychiatric disorders
4.41
Renal and urinary disorders
3.79
Vascular disorders
3.35
Musculoskeletal and connective tissue disorders
3.12
Infections and infestations
2.73
Investigations
2.62

Cross References

Resources Reference
CAS NUMBER 53-43-0
ChEBI 28689
ChEMBL CHEMBL90593
DrugBank DB01708
DrugCentral 795
EPA CompTox DTXSID4020379
FDA SRS 459AG36T1B
Human Metabolome Database HMDB0000077
Guide to Pharmacology 2370
KEGG C01227
PDB AND
PharmGKB PA451993
PubChem 5881
SureChEMBL SCHEMBL24156
ZINC ZINC000003807917
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