Linrodostat

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Linrodostat
Accession Number
DB14986
Type
Small Molecule
Groups
Investigational
Description

Linrodostat is under investigation in clinical trial NCT03247283 (Pharmacokinetics and Metabolism Study in Healthy Male Participants).

Structure
Thumb
Synonyms
  • Linrodostat
External IDs
BMS 986205 / BMS-986205 / BMS986205
Categories
UNII
0A7729F42K
CAS number
1923833-60-6
Weight
Average: 410.92
Monoisotopic: 410.1561193
Chemical Formula
C24H24ClFN2O
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers2
1CompletedHealth Services ResearchMalignancies1
1CompletedOtherHealthy Volunteers1
1CompletedOtherMalignancies Multiple1
1CompletedTreatmentCancer, Advanced1
1CompletedTreatmentHealthy Volunteers2
1RecruitingTreatmentCancer, Advanced1
1RecruitingTreatmentGlioblastomas1
1, 2Active Not RecruitingTreatmentCancer, Advanced1
1, 2RecruitingTreatmentCancer, Advanced1
1, 2RecruitingTreatmentCancer, Advanced / Lung Cancer Non-Small Cell Cancer (NSCLC) / Melanoma1
1, 2RecruitingTreatmentMetastatic Hepatocellular Carcinoma / Stage III Hepatocellular Carcinoma AJCC v8 / Stage IIIA Hepatocellular Carcinoma AJCC v8 / Stage IIIB Hepatocellular Carcinoma AJCC v8 / Stage IV Hepatocellular Carcinoma AJCC v8 / Stage IVA Hepatocellular Carcinoma AJCC v8 / Stage IVB Hepatocellular Carcinoma AJCC v8 / Unresectable Hepatocellular Carcinoma1
2Active Not RecruitingTreatmentCancer, Advanced1
2RecruitingTreatmentAdvanced Gastric Cancer1
2RecruitingTreatmentBladder Tumors / Cancer, Bladder / Neoplasms, Bladder1
2RecruitingTreatmentCancer, Advanced1
2RecruitingTreatmentEndometrial Adenocarcinomas / Endometrial Carcinosarcoma1
2RecruitingTreatmentLarynx / LIP / Oral Cavity Squamous Cell Carcinoma / Pharynx / Squamous Cell Carcinoma (SCC)1
2WithdrawnTreatmentMelanoma Stage Iii / Melanoma Stage Iv1
3Active Not RecruitingTreatmentMelanoma / Skin Cancers1
3RecruitingTreatmentBMS-986205 / Cancer, Bladder / Muscle-invasive Bladder Cancer1
3WithdrawnTreatmentHead and Neck Carcinoma1
3WithdrawnTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Lung Cancers1

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
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:39 / Updated on March 01, 2020 21:59

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