NAV

Vorolanib

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

Identification

Generic Name
Vorolanib
DrugBank Accession Number
DB15247
Background

Vorolanib is under investigation in clinical trial NCT03904719 (CM082 and JS001 in Patients With Advanced Small-cell Lung Cancer (SCLC)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 439.491
Monoisotopic: 439.20196788
Chemical Formula
C23H26FN5O3
Synonyms
  • Vorolanib
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Indolines
Direct Parent
Indolines
Alternative Parents
Pyrrolidinecarboxamides / Pyrrole carboxamides / Substituted pyrroles / Aryl fluorides / Benzenoids / Vinylogous amides / Heteroaromatic compounds / Ureas / Tertiary amines / Secondary carboxylic acid amides
show 7 more
Substituents
Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YP8G3I74EL
CAS number
1013920-15-4
InChI Key
KMIOJWCYOHBUJS-HAKPAVFJSA-N
InChI
InChI=1S/C23H26FN5O3/c1-12-19(10-17-16-9-14(24)5-6-18(16)27-21(17)30)25-13(2)20(12)22(31)26-15-7-8-29(11-15)23(32)28(3)4/h5-6,9-10,15,25H,7-8,11H2,1-4H3,(H,26,31)(H,27,30)/b17-10-/t15-/m0/s1
IUPAC Name
N-[(3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILES
CN(C)C(=O)N1CC[C@@H](C1)NC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C

References

General References
Not Available
ChemSpider
58827733

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentExtensive-stage Small Cell Lung Cancer (SCLC)1
2Unknown StatusTreatmentNon-Small Cell Lung Cancer (NSCLC)1
2Unknown StatusTreatmentSmall Cell Lung Cancer (SCLC)1
1TerminatedTreatmentAdenocarcinomas of the Gastroesophageal Junction / Gastric Cancer / Hepatocellular Carcinoma / Solid Tumors1
1, 2Active Not RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC) / Refractory Thoracic Tumors / Small Cell Lung Cancer (SCLC) / Thymic Carcinoma1

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 Solubility0.069 mg/mLALOGPS
logP2.25ALOGPS
logP1.5Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)11.46Chemaxon
pKa (Strongest Basic)-0.75Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area97.54 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity122.08 m3·mol-1Chemaxon
Polarizability45.9 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0006-0000900000-b45702b79022909a603a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0010900000-ac3970f1d78d50588088
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-2063900000-8d908bb3d49e1d7ebd87
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-4146900000-bc2dee34204d8deb0cb5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0019-2193300000-fe9ef634965f7d9ddf9c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fr5-3139000000-d5c6c0e2fef262ecc82a
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 15:04 / Updated at February 21, 2021 18:55