NAV

Minnelide

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

Identification

Generic Name
Minnelide
DrugBank Accession Number
DB17309
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 514.374
Monoisotopic: 514.09807256
Chemical Formula
C21H25Na2O10P
Synonyms
  • 14-o-phosphonooxymethyltriptolide disodium salt
  • Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3h)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-8b-methyl-6a-(1-methylethyl)-6-((phosphonooxy)methoxy)-, sodium salt (1:2), (3bs,4as,5ar,6r,6as,7as,7bs,8as,8bs)-
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

Products

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Active Moieties
NameKindUNIICASInChI Key
Triptolideprodrug19ALD1S53J38748-32-2DFBIRQPKNDILPW-CIVMWXNOSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
1CIV2UMO40
CAS number
1254702-87-8
InChI Key
ZHBJMVNZRZUQEP-KIKMAQITSA-L
InChI
InChI=1S/C21H27O10P.2Na/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25;;/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25);;/q;2*+1/p-2/t12-,13-,14-,15-,17+,18-,19-,20+,21+;;/m0../s1
IUPAC Name
disodium {[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-(propan-2-yl)-3,6,10,16-tetraoxaheptacyclo[11.7.0.0^{2,4}.0^{2,9}.0^{5,7}.0^{9,11}.0^{14,18}]icos-14(18)-en-8-yl]oxy}methyl phosphate
SMILES
[Na+].[Na+].[H][C@@]12C[C@@H]3O[C@@]33[C@H](OCOP([O-])([O-])=O)[C@]4(O[C@H]4[C@@H]4O[C@]34[C@@]1(C)CCC1=C2COC1=O)C(C)C

References

General References
Not Available
ChemSpider
52083318
ChEMBL
CHEMBL3740500
Wikipedia
Triptolide

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentPancreatic Cancer1
2RecruitingTreatmentPancreatic Adenosquamous Carcinoma1
1CompletedTreatmentAdvanced Gastrointestinal Tumors1
1RecruitingTreatmentAdvanced Malignant Neoplasm / Breast Cancer / Colorectal Cancer / Gastric Cancer / Metastatic Prostate Cancer / Pancreatic Cancer / Solid Carcinoma / Solid Carcinoma of Stomach / Solid Tumors1
1RecruitingTreatmentAdvanced Non-Small Cell Lung Carcinoma / Locally Advanced Non-Small Cell Lung Cancer / Stage III Lung Cancer AJCC v8 / Stage IIIA Lung Cancer AJCC v8 / Stage IIIB Lung Cancer AJCC v8 / Stage IIIC Lung Cancer AJCC v8 / Stage IV Lung Cancer AJCC v8 / Stage IVA Lung Cancer AJCC v8 / Stage IVB Lung Cancer AJCC v8 / Unresectable Non-Small Cell Lung Carcinoma (NSCLC)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
PropertyValueSource
Water Solubility8.18 mg/mLALOGPS
logP1.78ALOGPS
logP1.27Chemaxon
logS-1.8ALOGPS
pKa (Strongest Acidic)1.46Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area145.54 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity101.74 m3·mol-1Chemaxon
Polarizability43.85 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 05, 2022 17:34 / Updated at December 06, 2022 13:40