NAV

ZD-6126

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

Identification

Generic Name
ZD-6126
DrugBank Accession Number
DB11872
Background

ZD6126 has been used in trials studying the treatment of Kidney Neoplasms, Colorectal Neoplasms, Metastases, Neoplasm, and Carcinoma, Renal Cell.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 437.385
Monoisotopic: 437.123953735
Chemical Formula
C20H24NO8P
Synonyms
Not Available
External IDs
  • ANG 453
  • ANG-453
  • AZD 6126
  • AZD-6126
  • ZD 6126
  • ZM 445526
  • ZM-445526
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as allocolchicine alkaloids. These are alkaloids with a structure based on the tricyclic allocolchicine skeleton, which consists of a dibenzocycloheptane where the cycloheptane moiety carries the N-acetamide group.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Allocolchicine alkaloids
Sub Class
Not Available
Direct Parent
Allocolchicine alkaloids
Alternative Parents
Aryl phosphomonoesters / Anisoles / Alkyl aryl ethers / Acetamides / Secondary carboxylic acid amides / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Acetamide / Alkyl aryl ether / Allocolchicine alkaloid skeleton / Anisole / Aromatic homopolycyclic compound / Aryl phosphate / Aryl phosphomonoester / Benzenoid / Carbonyl group / Carboxamide group
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
GBO3S6M9W7
CAS number
219923-05-4
InChI Key
UGBMEXLBFDAOGL-INIZCTEOSA-N
InChI
InChI=1S/C20H24NO8P/c1-11(22)21-16-8-5-12-9-17(26-2)19(27-3)20(28-4)18(12)14-7-6-13(10-15(14)16)29-30(23,24)25/h6-7,9-10,16H,5,8H2,1-4H3,(H,21,22)(H2,23,24,25)/t16-/m0/s1
IUPAC Name
{[(8S)-8-acetamido-13,14,15-trimethoxytricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl]oxy}phosphonic acid
SMILES
COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=C2C=CC(OP(O)(O)=O)=C3)=C1

References

General References
Not Available
PubChem Compound
9896434
PubChem Substance
347828209
ChemSpider
8072099
ChEMBL
CHEMBL257662
ZINC
ZINC000003993833

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2SuspendedTreatmentRenal Cell Carcinoma (RCC) / Renal Neoplasms1
2TerminatedTreatmentColorectal Neoplasms / Metastatic Cancer1

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 Solubility0.0165 mg/mLALOGPS
logP1.56ALOGPS
logP1.68Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)1.79Chemaxon
pKa (Strongest Basic)-1.5Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area123.55 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity108.94 m3·mol-1Chemaxon
Polarizability42.3 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-000i-0001900000-54fdf5c7a56ca69dd0b6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9001200000-c0113a5c8cd137f63b6e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002g-0019000000-e762c12df0d5705fd443
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-3e0839d4b4de5080110e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-ca30e71e114ea6673088
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0092100000-c28e81c3be8ca2babc6f
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]-200.77885
predicted
DeepCCS 1.0 (2019)
[M+H]+203.17442
predicted
DeepCCS 1.0 (2019)
[M+Na]+209.08696
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:56 / Updated at June 12, 2020 16:53