NAV

Sitravatinib

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

Identification

Generic Name
Sitravatinib
DrugBank Accession Number
DB15036
Background

Sitravatinib is under investigation in clinical trial NCT03680521 (Neoadjuvant Sitravatinib in Combination With Nivolumab in Patients With Clear Cell Renal Cell Carcinoma).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 629.68
Monoisotopic: 629.190831934
Chemical Formula
C33H29F2N5O4S
Synonyms
  • Sitravatinib
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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
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
CWG62Q1VTB
CAS number
1123837-84-2
InChI Key
WLAVZAAODLTUSW-UHFFFAOYSA-N
InChI
InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)
IUPAC Name
N'1-(3-fluoro-4-{[2-(5-{[(2-methoxyethyl)amino]methyl}pyridin-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILES
COCCNCC1=CC=C(N=C1)C1=CC2=C(S1)C(OC1=C(F)C=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2

References

General References
Not Available
ChemSpider
52083477
ChEMBL
CHEMBL3989926
ZINC
ZINC000164334830
Wikipedia
Sitravatinib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentMetastatic Non-squamous Non Small Cell Lung Cancer1
3Enrolling by InvitationTreatmentAdvanced Malignant Neoplasm1
3TerminatedTreatmentNon-Small Cell Lung Cancer (NSCLC)1
3WithdrawnTreatmentHepatocellular Carcinoma1
2Active Not RecruitingTreatmentAdenocarcinomas / Non-Small Cell Lung Cancer (NSCLC) / Squamous Cell Carcinoma (SCC)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
PropertyValueSource
Water Solubility0.000527 mg/mLALOGPS
logP4.49ALOGPS
logP5.33Chemaxon
logS-6.1ALOGPS
pKa (Strongest Acidic)13.17Chemaxon
pKa (Strongest Basic)8.33Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area114.47 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity166.98 m3·mol-1Chemaxon
Polarizability64.71 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-00lr-2100569000-cc2a42664a7e9a243311
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0100596000-e186115846259b754530
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bta-2100910000-de55bc8562c2fcba3233
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-1100924000-d934778d3e1797cf4dea
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02tc-7100901000-c67e56d69355ac806b8a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-003r-1120901000-ec608b822f522d0bb084
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:44 / Updated at February 21, 2021 18:55