ZD-6126

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
ZD-6126
Accession Number
DB11872
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
ANG 453 / ANG-453 / AZD 6126 / AZD-6126 / ZD 6126 / ZM 445526 / ZM-445526
Categories
Not Available
UNII
GBO3S6M9W7
CAS number
219923-05-4
Weight
Average: 437.385
Monoisotopic: 437.123953735
Chemical Formula
C20H24NO8P
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

Pharmacology

Indication
Not Available
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
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
9896434
PubChem Substance
347828209
ChemSpider
8072099
ChEMBL
CHEMBL257662

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2SuspendedTreatmentNeoplasms, Kidney / Renal Cell Adenocarcinoma1
2TerminatedTreatmentNeoplasm Metastases / Neoplasms, Colorectal1

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/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 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
Allocolchicine alkaloid skeleton / Aryl phosphate / Aryl phosphomonoester / Anisole / Phenol ether / Alkyl aryl ether / Organic phosphoric acid derivative / Benzenoid / Phosphoric acid ester / Acetamide
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:56 / Updated on June 04, 2019 07:28