ORG-31710
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- ORG-31710
- DrugBank Accession Number
- DB15585
- Background
ORG-31710 is a progestational hormone antagonist.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 445.647
Monoisotopic: 445.2980795 - Chemical Formula
- C30H39NO2
- Synonyms
- Not Available
- External IDs
- ORG 31710
- ORG-31710
- ORG31710
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- X2V3MG6PE8
- CAS number
- 118968-41-5
- InChI Key
- HFDGABTZPISMDD-IEVXGSBISA-N
- InChI
- InChI=1S/C30H39NO2/c1-19-16-25-27-12-14-30(13-5-15-33-30)29(27,2)18-26(20-6-8-21(9-7-20)31(3)4)28(25)23-11-10-22(32)17-24(19)23/h6-9,17,19,25-27H,5,10-16,18H2,1-4H3/t19-,25+,26-,27+,29+,30+/m1/s1
- IUPAC Name
- (1R,3aS,3bS,5R,10R,11aS)-10-[4-(dimethylamino)phenyl]-5,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-7-one
- SMILES
- [H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3[C@H](C)C[C@@]21[H]
References
- General References
- Not Available
- External Links
- ChemSpider
- 143897
- ChEMBL
- CHEMBL460258
- ZINC
- ZINC000003918217
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00101 mg/mL ALOGPS logP 5.82 ALOGPS logP 5.4 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 18.37 Chemaxon pKa (Strongest Basic) 4.89 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 136.34 m3·mol-1 Chemaxon Polarizability 52.91 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0000900000-f917f0d25c549e1bfcd1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0000900000-17aa6a3b8edd94adf1b0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-002k-0103900000-59533141484753157cdf Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0000900000-9cd0f61fe7b1ad247525 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-002f-0001900000-cd058395d99237eb3409 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0540-3914400000-98131d53d576856fa774 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 10, 2019 18:55 / Updated at June 12, 2020 16:53