NAV

AZD-1480

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

Identification

Generic Name
AZD-1480
DrugBank Accession Number
DB12588
Background

AZD1480 has been used in trials studying the treatment of Solid Malignancies, Post-Polycythaemia Vera, Primary Myelofibrosis (PMF), and Essential Thrombocythaemia Myelofibrosis.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 348.766
Monoisotopic: 348.1013984
Chemical Formula
C14H14ClFN8
Synonyms
Not Available
External IDs
  • AZD 1480
  • AZD-1480
  • AZD1480
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Halopyrimidines
Alternative Parents
Aminopyrimidines and derivatives / Imidolactams / Aryl fluorides / Aryl chlorides / Pyrazoles / Heteroaromatic compounds / Azacyclic compounds / Organofluorides / Organochlorides / Hydrocarbon derivatives
show 1 more
Substituents
Amine / Aminopyrimidine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl fluoride / Aryl halide / Azacycle / Azole / Halopyrimidine / Heteroaromatic compound
show 8 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
KL2Z2TLF01
CAS number
935666-88-9
InChI Key
PDOQBOJDRPLBQU-QMMMGPOBSA-N
InChI
InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
IUPAC Name
5-chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILES
C[C@H](NC1=NC=C(Cl)C(NC2=NNC(C)=C2)=N1)C1=NC=C(F)C=N1

References

General References
Not Available
PubChem Compound
16659841
PubChem Substance
347828808
ChemSpider
17592916
BindingDB
50335201
ChEMBL
CHEMBL1231124
ZINC
ZINC000058631551
PDBe Ligand
AZ5
PDB Entries
2xa4

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedOtherEssential Thrombocythaemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis (PMF)1
1TerminatedTreatmentAdvanced Malignant Solid Tumor / Child-Pugh A to B7 Advanced Hepatocellular Carcinoma / EGFR and/or ROS Mutant NSCLC / Gastric Cancer / Lung Metastasis Carcinoma / Solid Tumors1
1TerminatedTreatmentSolid Tumor Malignancies1

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 Solubility0.0284 mg/mLALOGPS
logP2.75ALOGPS
logP2.7Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)11.62Chemaxon
pKa (Strongest Basic)3.08Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area104.3 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity91.12 m3·mol-1Chemaxon
Polarizability33.8 Å3Chemaxon
Number of Rings3Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0002-9254000000-b7bbaa0e3fafad42bb91
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0019000000-9992afef448240ef4e28
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0119000000-17960d12b294135ea18c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002b-0029000000-99bbabdf0e218f8a1bfc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01rt-0894000000-796f371a81dbd3b99208
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9533000000-a8040a30d367e0e5decb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-007o-9682000000-cb215da8e4c7176f4867
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]-179.10493
predicted
DeepCCS 1.0 (2019)
[M+H]+181.46294
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.5052
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:03 / Updated at June 12, 2020 16:53