Compound Detail
CHEMBL1200969
DUTASTERIDE 💊 Approved Drug
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💊 Approved Drug
C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1200969 |
| Name | DUTASTERIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JWJOTENAMICLJG-QWBYCMEYSA-N |
| Therapeutic | ✓ Yes |
4
Targets
4
Activities
2
Assay Types
2
PK Parameters
20
Publications
11
Known Names
12
Indications
1
Mechanisms
Molecular Properties
528.5
MW (Da)
6.58
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.43
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2001 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Steroid 5-alpha-reductase inhibitor | INHIBITOR | Steroid 5-alpha-reductase | ✓ | ✓ |
Indications
Prostatic Hyperplasia Prostatic Neoplasms Prostatic Neoplasms Alopecia Alopecia Hypogonadism Prostatic Neoplasms, Castration-Resistant Amyotrophic Lateral Sclerosis Bulbo-Spinal Atrophy, X-Linked Prostatitis Severe Acute Respiratory Syndrome Aging
ATC Classification
G04CB02
dutasteride
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: UROLOGICALS
Activity Summary
IC50 3 meas. best 8.4
EC50 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Glycine receptor subunit alpha-1 CHEMBL5845 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 5.55 | 5.55 | 2810.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.53 | 4.53 | 29800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 41.23 | ng.hr.mL-1 | Homo sapiens |
| F | 60.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human type 1 5alpha reductase | 29400967 |
| Glycine receptor subunit alpha-1 | EC50 | = | 330.0 | nM | 6.48 | Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed a... | 25790278 |
| Keap1/Nrf2 | IC50 | = | 2810.0 | nM | 5.55 | Inhibition of human Keap1-Nrf2 protein-protein interaction by ELISA method | 32668381 |
| Bile salt export pump | IC50 | = | 29800.0 | nM | 4.53 | Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 26780831 | 10.1016/j.bmc.2015.12.048 | Rattus norvegicus | 9 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 6 |
| 25790278 | 10.1021/jm501873p | Glycine receptor subunit alpha-1 | 3 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 3 |
| 23956101 | 10.1093/toxsci/kft176 | Homo sapiens | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 23956101 | 10.1093/toxsci/kft176 | Unchecked | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 4 | 1 |
Data from ChEMBL 36 via Core Engine