Linrodostat
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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
- Linrodostat
- DrugBank Accession Number
- DB14986
- Background
Linrodostat is under investigation in clinical trial NCT03247283 (Pharmacokinetics and Metabolism Study in Healthy Male Participants).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 410.92
Monoisotopic: 410.1561193 - Chemical Formula
- C24H24ClFN2O
- Synonyms
- Linrodostat
- External IDs
- BMS 986205
- BMS-986205
- BMS986205
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
- 0A7729F42K
- CAS number
- 1923833-60-6
- InChI Key
- KRTIYQIPSAGSBP-ZACQAIPSSA-N
- InChI
- InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1
- IUPAC Name
- (2R)-N-(4-chlorophenyl)-2-[(1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
- SMILES
- [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C=C1
References
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Cancer of the Skin / Melanoma 1 3 Withdrawn Treatment Head And Neck Cancer 1 3 Withdrawn Treatment Lung Cancer / Non-Small Cell Lung Cancer (NSCLC) 1 2 Active Not Recruiting Treatment Endometrial Adenocarcinomas / Endometrial Carcinosarcoma 1 2 Active Not Recruiting Treatment Larynx / Lips / Pharynx / Squamous Cell Carcinoma (SCC) / Squamous Cell Carcinoma of the Oral Cavity 1
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 0.000115 mg/mL ALOGPS logP 6.19 ALOGPS logP 6.38 Chemaxon logS -6.6 ALOGPS pKa (Strongest Acidic) 13.98 Chemaxon pKa (Strongest Basic) 4.17 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 41.99 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 114.86 m3·mol-1 Chemaxon Polarizability 43.3 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No 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 splash10-001i-0090100000-cc29981b90d7aba3e345 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4r-0035900000-4eb98617ae7be284b806 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a59-7173900000-1082f3d2c56903726c40 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0bt9-0290400000-364d06baeed1983c1178 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-053r-9353200000-c2691a96801993a79e06 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0r01-0930100000-7d8c69c1000117b0b0a3 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 May 20, 2019 14:39 / Updated at February 21, 2021 18:55