LGD2941
Identification
- Generic Name
- LGD2941
- DrugBank Accession Number
- DB05234
- Background
LGD2941 is a non-steroidal, selective androgen receptor modulator (SARM) developed jointly by Ligand and TAP.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 394.3116
Monoisotopic: 394.111596996 - Chemical Formula
- C17H16F6N2O2
- Synonyms
- Not Available
Pharmacology
- Indication
For the treatment and prevention of osteoporosis.
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- Pharmacodynamics
LGD2941 is a non-steroidal, selective androgen receptor modulator (SARM). SARMs are a novel class of non-steroidal, orally active molecules that selectively modulate the activity of the androgen receptor (AR) in different tissues, providing a wide range of opportunities for the treatment of many diseases and disorders with large patient populations in both men and women. Tissue-selective AR agonists or antagonists may provide utility in male hormone therapy and the treatment of patients with male hypogonadism, female and male osteoporosis, male and female sexual dysfunction, frailty, prostate cancer, hirsutism, acne, androgenetic alopecia and other diseases.
- Mechanism of action
LGD2941 selectively modulates the activity of the androgen receptor (AR) in different tissues.
Target Actions Organism UAndrogen receptor Not Available Humans - Absorption
Orally-available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Quinolines and derivatives
- Sub Class
- Aminoquinolines and derivatives
- Direct Parent
- Aminoquinolines and derivatives
- Alternative Parents
- Hydroquinolones / Hydroquinolines / Dialkylarylamines / Pyridinones / Benzenoids / Pyrrolidines / Heteroaromatic compounds / Lactams / Secondary alcohols / Fluorohydrins show 7 more
- Substituents
- 1,2-aminoalcohol / Alcohol / Alkyl fluoride / Alkyl halide / Amine / Aminoquinoline / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Dialkylarylamine show 21 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Humans and other mammals
Chemical Identifiers
- UNII
- 27H8PR7JGK
- CAS number
- Not Available
- InChI Key
- HWLLYFXDDGGHOE-BCSUUIJWSA-N
- InChI
- InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1
- IUPAC Name
- 6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
- SMILES
- C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16750192
- PubChem Substance
- 175426960
- ChemSpider
- 24694857
- BindingDB
- 18522
- ChEMBL
- CHEMBL467888
- ZINC
- ZINC000014968224
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0344 mg/mL ALOGPS logP 4.29 ALOGPS logP 3.58 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 10.91 Chemaxon pKa (Strongest Basic) 0.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.57 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 87.96 m3·mol-1 Chemaxon Polarizability 32.63 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 1.0 Blood Brain Barrier + 0.8542 Caco-2 permeable - 0.618 P-glycoprotein substrate Substrate 0.5 P-glycoprotein inhibitor I Non-inhibitor 0.6447 P-glycoprotein inhibitor II Inhibitor 0.9452 Renal organic cation transporter Non-inhibitor 0.786 CYP450 2C9 substrate Non-substrate 0.7102 CYP450 2D6 substrate Non-substrate 0.7646 CYP450 3A4 substrate Substrate 0.6993 CYP450 1A2 substrate Inhibitor 0.5799 CYP450 2C9 inhibitor Inhibitor 0.5459 CYP450 2D6 inhibitor Non-inhibitor 0.8378 CYP450 2C19 inhibitor Inhibitor 0.6237 CYP450 3A4 inhibitor Inhibitor 0.7054 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.7665 Ames test Non AMES toxic 0.6904 Carcinogenicity Non-carcinogens 0.9113 Biodegradation Not ready biodegradable 1.0 Rat acute toxicity 2.7525 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9849 hERG inhibition (predictor II) Inhibitor 0.5985
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0029000000-8f5ef2fbef69405700f6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-1009000000-360d008e4dda730b1d96 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0009000000-3531ec55a130ebb31d9c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-ea9145add145d3331f9b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004j-0091000000-f2e491567f421976c689 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-5097000000-28e3ce37eca6bee44a40 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 183.13316 predictedDeepCCS 1.0 (2019) [M+H]+ 185.52873 predictedDeepCCS 1.0 (2019) [M+Na]+ 191.44125 predictedDeepCCS 1.0 (2019)
Targets
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Steroid hormone receptors are ligand-activated transcription factors that regulate eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues. Transcription ...
- Gene Name
- AR
- Uniprot ID
- P10275
- Uniprot Name
- Androgen receptor
- Molecular Weight
- 98987.9 Da
Drug created at October 21, 2007 22:24 / Updated at June 12, 2020 16:52