Linrodostat

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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Contraindications & Blackbox Warnings
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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
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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

General References
Not Available
ChemSpider
58828674
PDBe Ligand
H7P
PDB Entries
6dpq / 6dpr / 6mq6

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentCancer of the Skin / Melanoma1
3WithdrawnTreatmentHead And Neck Cancer1
3WithdrawnTreatmentLung Cancer / Non-Small Cell Lung Cancer (NSCLC)1
2Active Not RecruitingTreatmentEndometrial Adenocarcinomas / Endometrial Carcinosarcoma1
2Active Not RecruitingTreatmentLarynx / Lips / Pharynx / Squamous Cell Carcinoma (SCC) / Squamous Cell Carcinoma of the Oral Cavity1

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
PropertyValueSource
Water Solubility0.000115 mg/mLALOGPS
logP6.19ALOGPS
logP6.38Chemaxon
logS-6.6ALOGPS
pKa (Strongest Acidic)13.98Chemaxon
pKa (Strongest Basic)4.17Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area41.99 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity114.86 m3·mol-1Chemaxon
Polarizability43.3 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0090100000-cc29981b90d7aba3e345
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0035900000-4eb98617ae7be284b806
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a59-7173900000-1082f3d2c56903726c40
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-0290400000-364d06baeed1983c1178
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-053r-9353200000-c2691a96801993a79e06
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0r01-0930100000-7d8c69c1000117b0b0a3
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:39 / Updated at February 21, 2021 18:55