DUTASTERIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G04CB02
UNII: O0J6XJN02I

Structure
InChI Key JWJOTENAMICLJG-QWBYCMEYSA-N
Smile C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F
InChI
InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30F6N2O2
Molecular Weight 528.54
AlogP 6.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Steroid 5-alpha-reductase inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 4 - - -
Ion channel Ligand-gated ion channel Glycine receptor
330 - - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 29800 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 4 D011471 ClinicalTrials
Hypogonadism 3 D007006 ClinicalTrials
Alopecia 3 D000505 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Alopecia 3 D000505 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Bulbo-Spinal Atrophy, X-Linked 2 D055534 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Prostatitis 2 D011472 ClinicalTrials
Aging 1 D000375 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
10.37
Reproductive system and breast disorders
9.55
Nervous system disorders
8.67
Psychiatric disorders
6.26
Injury, poisoning and procedural complications
5.75
Renal and urinary disorders
5.63
Gastrointestinal disorders
5.55
Vascular disorders
5.23
Investigations
5.21
Cardiac disorders
4.96
Skin and subcutaneous tissue disorders
4.64
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
4.28
Respiratory, thoracic and mediastinal disorders
4.0
Musculoskeletal and connective tissue disorders
3.24
Surgical and medical procedures
2.87

Cross References

Resources Reference
CAS NUMBER 164656-23-9
ChEBI 521033
ChEMBL CHEMBL1200969
DrugBank DB01126
DrugCentral 973
EPA CompTox DTXSID8046452
FDA SRS O0J6XJN02I
Human Metabolome Database HMDB0015258
Guide to Pharmacology 7457
KEGG D03820
PubChem 6918296
SureChEMBL SCHEMBL5903
ZINC ZINC000003932831
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