Tivantinib

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

Identification

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Name
Tivantinib
Accession Number
DB12200  (DB06026)
Type
Small Molecule
Groups
Investigational
Description

Tivantinib has been investigated in Solid Tumors.

Structure
Thumb
Synonyms
Not Available
External IDs
ARQ 197 / ARQ-197
Categories
UNII
PJ4H73IL17
CAS number
905854-02-6
Weight
Average: 369.424
Monoisotopic: 369.147726864
Chemical Formula
C23H19N3O2
InChI Key
UCEQXRCJXIVODC-PMACEKPBSA-N
InChI
InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1
IUPAC Name
(3R,4R)-3-{1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4,6,8(12)-tetraen-3-yl}-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILES
O=C1NC(=O)[C@H]([C@@H]1C1=CNC2=CC=CC=C12)C1=CN2CCCC3=C2C1=CC=C3

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action

Tivantinib mediates its effects by inhibiting the activity of c-Met, a receptor tyrosine kinase that plays multiple key roles in human cancer, including cancer cell growth, survival, angiogenesis, invasion and metastasis. C-Met is abnormally activated in most cancers and is believed to control multiple signal transduction pathways involved in tumor growth and metastasis.

TargetActionsOrganism
UHepatocyte growth factor receptorNot AvailableHumans
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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11494412
PubChem Substance
347828485
ChemSpider
9669218
BindingDB
50146168
ChEBI
91398
ChEMBL
CHEMBL2103882
HET
TIV
Wikipedia
Tivantinib
PDB Entries
5cb4

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAdult Solid Neoplasm1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedOtherTumors, Solid1
1CompletedTreatmentAdult Solid Neoplasm1
1CompletedTreatmentAdvanced Hepatocellular Carcinoma1
1CompletedTreatmentAdvanced/Recurrent Non-small-cell Lung Cancer1
1CompletedTreatmentCancer, Advanced Solid Tumors1
1CompletedTreatmentChildhood Solid Neoplasm1
1CompletedTreatmentHepatic Impairment / Malignancies / Tumors, Solid1
1CompletedTreatmentHepatocellular,Carcinoma / Liver Cirrhosis1
1CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
1CompletedTreatmentMalignancies1
1CompletedTreatmentMalignancies / Tumors1
1CompletedTreatmentNeoplasms / Sarcomas / Stomach Neoplasms1
1CompletedTreatmentSolid Neoplasms1
1CompletedTreatmentTumors, Solid2
1, 2Active Not RecruitingTreatmentMalignant Pleural Mesothelioma (MPM) / Nonsquamous Nonsmall Cell Neoplasm of Lung1
1, 2CompletedTreatmentGastrooesophageal Cancer / Malignant Solid Tumours1
1, 2CompletedTreatmentMetastatic Colorectal Cancers1
2Active Not RecruitingTreatmentC-met Overexpression / Metastatic Colorectal Cancers1
2CompletedTreatmentAdenocarcinoma, Prostate / Hormone-Resistant Prostate Cancer / Recurrent Prostate Carcinoma / Stage IV Prostate Cancer1
2CompletedTreatmentAlveolar Soft Part Sarcoma (ASPS) / Clear Cell Sarcoma of Soft Tissue / Renal Cell Adenocarcinoma1
2CompletedTreatmentChildhood Renal Cell Carcinoma / Renal Cell Carcinoma Recurrent / Stage III Renal Cell Cancer / Stage IV Renal Cell Cancer / Type 1 Papillary Renal Cell Carcinoma / Type 2 Papillary Renal Cell Carcinoma1
2CompletedTreatmentEstrogen Receptor Negative / HER2/Neu Negative / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Stage IV Breast Cancer / Triple-Negative Breast Carcinoma1
2CompletedTreatmentHead and Neck Squamous Cell Carcinoma (HNSCC) / Recurrent Head and Neck Carcinoma1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)2
2CompletedTreatmentMalignant Neoplasm of Stomach1
2CompletedTreatmentMetastatic Non-Small Cell Lung Cancer1
2CompletedTreatmentNeoplasms, Pancreatic1
2CompletedTreatmentNon-CNS Germ Cell Tumors (Seminomas and Nonseminomas)1
2CompletedTreatmentRefractory Multiple Myeloma1
2CompletedTreatmentUnresectable Hepatocellular Carcinoma1
2RecruitingTreatmentCarcinoma, Small Cell1
2TerminatedTreatmentEpithelioid Mesothelioma / Recurrent Malignant Mesothelioma / Sarcomatoid Mesothelioma / Stage II Pleural Mesothelioma / Stage III Pleural Mesothelioma / Stage IV Pleural Mesothelioma1
2WithdrawnTreatmentMalignant Neoplasm of Stomach1
3CompletedTreatmentHepatocellular,Carcinoma1
3CompletedTreatmentLiver Cancer1
3CompletedTreatmentNon Squamous, Non-small-cell Lung Cancer1
3TerminatedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)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 Solubility0.00745 mg/mLALOGPS
logP4.04ALOGPS
logP3.27ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)9.72ChemAxon
pKa (Strongest Basic)-8.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.89 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity106.6 m3·mol-1ChemAxon
Polarizability39.51 Å3ChemAxon
Number of Rings6ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Indoles
Direct Parent
3-alkylindoles
Alternative Parents
Substituted pyrroles / Pyrrolidine-2-ones / Benzenoids / N-unsubstituted carboxylic acid imides / Heteroaromatic compounds / Dicarboximides / Lactams / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds
show 3 more
Substituents
3-alkylindole / Pyrrolidone / Benzenoid / Substituted pyrrole / 2-pyrrolidone / Carboxylic acid imide / Dicarboximide / Carboxylic acid imide, n-unsubstituted / Pyrrole / Pyrrolidine
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Protein tyrosine kinase activity
Specific Function
Receptor tyrosine kinase that transduces signals from the extracellular matrix into the cytoplasm by binding to hepatocyte growth factor/HGF ligand. Regulates many physiological processes including...
Gene Name
MET
Uniprot ID
P08581
Uniprot Name
Hepatocyte growth factor receptor
Molecular Weight
155540.035 Da

Drug created on October 20, 2016 15:35 / Updated on June 04, 2019 07:33