Patidegib

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

Identification

Generic Name
Patidegib
DrugBank Accession Number
DB12655
Background

Patidegib has been investigated for the treatment of Conventional Chondrosarcoma.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 504.77
Monoisotopic: 504.338564588
Chemical Formula
C29H48N2O3S
Synonyms
  • Patidegib
  • Saridegib
External IDs
  • IPI 926
  • IPI-926
  • IPI-926 FREE BASE

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
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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 piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Not Available
Direct Parent
Piperidines
Alternative Parents
Organosulfonamides / Organic sulfonamides / Oxolanes / Aminosulfonyl compounds / Oxacyclic compounds / Dialkylamines / Dialkyl ethers / Azacyclic compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aliphatic heteropolycyclic compound / Amine / Aminosulfonyl compound / Azacycle / Dialkyl ether / Ether / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
JT96FPU35X
CAS number
1037210-93-7
InChI Key
HZLFFNCLTRVYJG-WWGOJCOQSA-N
InChI
InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1
IUPAC Name
N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethyl-2,3,3'a,4,4',4a,5,5',6,6',6a,6b,7,7',7'a,8,10,12,12a,12b-icosahydro-1H,3'H-spiro[azuleno[2,1-a]naphthalene-9,2'-furo[3,2-b]pyridine]-3-yl]methanesulfonamide
SMILES
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O

References

General References
Not Available
PubChem Compound
25027363
PubChem Substance
347828860
ChemSpider
24611265
BindingDB
50293788
ChEMBL
CHEMBL538867
ZINC
ZINC000043197072

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentBasal Cell Nevus Syndrome1
3TerminatedTreatmentBasal Cell Nevus Syndrome1
2CompletedTreatmentBasal Cell Nevus Syndrome1
2CompletedTreatmentCarcinoma, Basal Cell (BCC)1
2CompletedTreatmentConventional Chondrosarcoma1
2CompletedTreatmentFibrosis, Bone Marrow / Primary Myelofibrosis (PMF)1
2TerminatedTreatmentRecurrent Basal Cell Carcinoma1
1CompletedTreatmentAdenocarcinomas / Malignant Neoplasm of Pancreas / Neoplasms, Pancreatic1
1CompletedTreatmentNeoplasms1
1CompletedTreatmentRecurrent Head and Neck 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 Solubility0.000464 mg/mLALOGPS
logP3.77ALOGPS
logP3.57ChemAxon
logS-6ALOGPS
pKa (Strongest Acidic)11.58ChemAxon
pKa (Strongest Basic)9.99ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area67.43 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity140.78 m3·mol-1ChemAxon
Polarizability60.43 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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

Drug created on October 20, 2016 23:28 / Updated on February 21, 2021 18:53