Ortataxel

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

Identification

Name

Ortataxel

Accession Number

DB11669

Description

Ortataxel has been used in trials studying the treatment of Lymphoma, Lung Cancer, Glioblastoma, and Kidney Cancer.

Type

Small Molecule

Groups

Investigational

Structure

Similar Structures

Weight: Average: 871.93
Monoisotopic: 871.362649379
Chemical Formula: C₄₄H₅₇NO₁₇

Synonyms

Not Available

External IDs

BAY 59-8862
BAY-59-8862
IDN 5109
IDN-5109
SB-T 101131
SB-T-101131

Pharmacology

Indication: Not Available
Contraindications & Blackbox Warnings: Learn about our commercial Contraindications & Blackbox Warnings data.
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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: Learn about our commercial Adverse Effects data.
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Toxicity: Not Available
Affected organisms: 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.

Drug	Interaction
Unlock Additional Data
Darbepoetin alfa	The risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Ortataxel.
Erythropoietin	The risk or severity of Thrombosis can be increased when Erythropoietin is combined with Ortataxel.
Methoxy polyethylene glycol-epoetin beta	The risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with Ortataxel.
Peginesatide	The risk or severity of Thrombosis can be increased when Peginesatide is combined with Ortataxel.

Additional Data Available

Extended Description

Available for Purchase

Extended description of the mechanism of action and particular properties of each drug interaction.

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Severity

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A severity rating for each drug interaction, from minor to major.

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Evidence Level

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A rating for the strength of the evidence supporting each drug interaction.

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Action

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An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions

Not Available

Chemical Identifiers

UNII: 8H61Y4E29N
CAS number: 186348-23-2
InChI Key: BWKDAMBGCPRVPI-ZQRPHVBESA-N
InChI: InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20,25-27,29-32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,42+,43-,44+/m0/s1
IUPAC Name: (1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-5-methylhexanoyl]oxy}-9-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.0^{1,16}.0^{3,10}.0^{4,7}]icos-13-en-2-yl benzoate
SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]22[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O

References

General References

Not Available

External Links

PubChem Compound: 6918412
PubChem Substance: 347828037
ChemSpider: 5293609
ChEMBL: CHEMBL382300
ZINC: ZINC000169362007
Wikipedia: Ortataxel

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
2	Completed	Treatment	Glioblastomas	1
2	Completed	Treatment	Lung Cancers	1
2	Completed	Treatment	Metastatic Breast Cancer / Neoplasms, Breast	1
2	Completed	Treatment	Non-Hodgkin's Lymphoma (NHL)	1
2	Completed	Treatment	Non-Small Cell Lung Carcinoma (NSCLC)	1
2	Completed	Treatment	Renal Cell Adenocarcinoma	1
2	Unknown Status	Treatment	Malignant Lymphomas	1
2	Unknown Status	Treatment	Renal Cancers	1

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

Property	Value	Source
Water Solubility	0.0218 mg/mL	ALOGPS
logP	3.2	ALOGPS
logP	4.13	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	11.03	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	245.82 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	210.47 m³·mol^-1	ChemAxon
Polarizability	87.2 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	0	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	Not Available