NAV

AMG-208

Identification

Generic Name
AMG-208
DrugBank Accession Number
DB08079
Background

AMG-208 has been used in trials studying the treatment of Cancer, Tumors, Oncology, Prostate Cancer, and Oncology Patients, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 383.4027
Monoisotopic: 383.138224813
Chemical Formula
C22H17N5O2
Synonyms
  • 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
External IDs
  • AMG 208
  • AMG-208
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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
TargetActionsOrganism
UHepatocyte growth factor receptor
inhibitor
Humans
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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyridazines and derivatives
Direct Parent
Phenylpyridazines
Alternative Parents
Quinolines and derivatives / Triazolopyridazines / Anisoles / Alkyl aryl ethers / Pyridines and derivatives / Benzene and substituted derivatives / Triazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds
show 2 more
Substituents
1,2,4-triazole / Alkyl aryl ether / Anisole / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Ether / Heteroaromatic compound / Hydrocarbon derivative
show 10 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Y2SR66P7VM
CAS number
1002304-34-8
InChI Key
HEAIZQNMNCHNFD-UHFFFAOYSA-N
InChI
InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
IUPAC Name
7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methoxy)quinoline
SMILES
COC1=CC2=NC=CC(OCC3=NN=C4C=CC(=NN34)C3=CC=CC=C3)=C2C=C1

References

General References
Not Available
PubChem Compound
24864821
PubChem Substance
99444550
ChemSpider
21486186
BindingDB
24470
ChEBI
90626
ChEMBL
CHEMBL496102
ZINC
ZINC000034285235
PDBe Ligand
L5G
PDB Entries
3cd8

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2WithdrawnTreatmentProstate Cancer1
1CompletedTreatmentAdvanced Malignant Neoplasm / Advanced Solid Tumors / Cancer / Cancer Patient / Oncology / Tumor1

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 Solubility0.0115 mg/mLALOGPS
logP3.66ALOGPS
logP3.37Chemaxon
logS-4.5ALOGPS
pKa (Strongest Basic)6.17Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area74.43 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity119.54 m3·mol-1Chemaxon
Polarizability40.72 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+1.0
Blood Brain Barrier+0.976
Caco-2 permeable+0.5
P-glycoprotein substrateNon-substrate0.611
P-glycoprotein inhibitor INon-inhibitor0.7973
P-glycoprotein inhibitor IIInhibitor0.5276
Renal organic cation transporterNon-inhibitor0.5178
CYP450 2C9 substrateNon-substrate0.6976
CYP450 2D6 substrateNon-substrate0.7656
CYP450 3A4 substrateSubstrate0.5882
CYP450 1A2 substrateInhibitor0.7736
CYP450 2C9 inhibitorNon-inhibitor0.7515
CYP450 2D6 inhibitorNon-inhibitor0.915
CYP450 2C19 inhibitorInhibitor0.6341
CYP450 3A4 inhibitorInhibitor0.5541
CYP450 inhibitory promiscuityHigh CYP Inhibitory Promiscuity0.7706
Ames testNon AMES toxic0.5
CarcinogenicityNon-carcinogens0.9203
BiodegradationNot ready biodegradable0.9907
Rat acute toxicity2.2850 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.7437
hERG inhibition (predictor II)Non-inhibitor0.8498
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-dccb682973afe52095a0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0239000000-757c0d689fd1c6687aed
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-7393fbef5b40acdaea73
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-0209000000-47de6c0ac8d4e61af5da
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fmi-1911000000-c51d8b84b835bad6f81e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000x-3913000000-3dc2ddb52f830e393311
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]-203.9400206
predicted
DarkChem Lite v0.1.0
[M-H]-192.60802
predicted
DeepCCS 1.0 (2019)
[M+H]+204.8358206
predicted
DarkChem Lite v0.1.0
[M+H]+194.96602
predicted
DeepCCS 1.0 (2019)
[M+Na]+204.2256206
predicted
DarkChem Lite v0.1.0
[M+Na]+201.37042
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Hepatocyte growth factor receptor
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
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
References
  1. Hong DS, Rosen P, Lockhart AC, Fu S, Janku F, Kurzrock R, Khan R, Amore B, Caudillo I, Deng H, Hwang YC, Loberg R, Ngarmchamnanrith G, Beaupre DM, Lee P: A first-in-human study of AMG 208, an oral MET inhibitor, in adult patients with advanced solid tumors. Oncotarget. 2015 Jul 30;6(21):18693-706. doi: 10.18632/oncotarget.4472. [Article]

Drug created at September 15, 2010 21:28 / Updated at June 12, 2020 16:52