NAV

Motesanib

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

Identification

Generic Name
Motesanib
DrugBank Accession Number
DB05575
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 373.4509
Monoisotopic: 373.190260383
Chemical Formula
C22H23N5O
Synonyms
  • Motesanib
External IDs
  • AMG 706
  • AMG-706
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Pharmacology

Indication

Investigated for use/treatment in solid tumors.

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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.
DrugInteraction
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interactions in your software
AcetaminophenThe serum concentration of Acetaminophen can be increased when it is combined with Motesanib.
CarbimazoleThe therapeutic efficacy of Carbimazole can be decreased when used in combination with Motesanib.
FollitropinThe therapeutic efficacy of Follitropin can be decreased when used in combination with Motesanib.
LevothyroxineThe therapeutic efficacy of Levothyroxine can be decreased when used in combination with Motesanib.
LiothyronineThe therapeutic efficacy of Liothyronine can be decreased when used in combination with Motesanib.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Motesanib diphosphateT6Q3060U91857876-30-3ONDPWWDPQDCQNJ-UHFFFAOYSA-N
Motesanib phosphateNot AvailableNot AvailableNot applicable

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
Nicotinamides / Secondary alkylarylamines / Aralkylamines / Aminopyridines and derivatives / Imidolactams / Benzenoids / Vinylogous amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids and derivatives
show 5 more
Substituents
Amine / Amino acid or derivatives / Aminopyridine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxamide group / Carboxylic acid derivative / Dihydroindole
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
pyridinecarboxamide (CHEBI:51098)
Affected organisms
Not Available

Chemical Identifiers

UNII
U1JK633AYI
CAS number
453562-69-1
InChI Key
RAHBGWKEPAQNFF-UHFFFAOYSA-N
InChI
InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
IUPAC Name
N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-{[(pyridin-4-yl)methyl]amino}pyridine-3-carboxamide
SMILES
CC1(C)CNC2=CC(NC(=O)C3=C(NCC4=CC=NC=C4)N=CC=C3)=CC=C12

References

General References
Not Available
Human Metabolome Database
HMDB0254901
ChemSpider
9842625
BindingDB
24773
ChEBI
51098
ChEMBL
CHEMBL572881
ZINC
ZINC000018710082
PharmGKB
PA166118340
PDBe Ligand
706
Wikipedia
Motesanib
PDB Entries
3efl

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentNon-Small Cell Lung Cancer (NSCLC)1
3TerminatedTreatmentNon-Small Cell Lung Carcinoma1
2CompletedTreatmentAdvanced Gastrointestinal Stromal Tumor (GIST)1
2CompletedTreatmentGastrointestinal Carcinoid Tumor / Neoplastic Syndrome / Pancreatic Islet Cell Tumors1
2CompletedTreatmentGastrointestinal Tract Cancer1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0112 mg/mLALOGPS
logP3.59ALOGPS
logP3.33Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)15.56Chemaxon
pKa (Strongest Basic)5.43Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area78.94 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity114.77 m3·mol-1Chemaxon
Polarizability40.66 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/MSsplash10-00di-1009000000-8804f93e4db39eb4f7d9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03k9-0906000000-867f535847ea27eb31d5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-1009000000-9c3c814fc5bfc21ab579
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0hmk-0393000000-90b23699e798e9e2a271
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9321000000-af352d9adeb85aaf4a99
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-4963000000-24b99cfaae7cf39d1d27
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-213.3808459
predicted
DarkChem Lite v0.1.0
[M-H]-189.20396
predicted
DeepCCS 1.0 (2019)
[M+H]+214.1156459
predicted
DarkChem Lite v0.1.0
[M+H]+191.56195
predicted
DeepCCS 1.0 (2019)
[M+Na]+213.4398459
predicted
DarkChem Lite v0.1.0
[M+Na]+198.59808
predicted
DeepCCS 1.0 (2019)

Drug created at November 18, 2007 18:26 / Updated at December 13, 2022 10:46