Patidegib

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

Identification

Name
Patidegib
Accession Number
DB12655  (DB05922)
Type
Small Molecule
Groups
Investigational
Description

Patidegib has been investigated for the treatment of Conventional Chondrosarcoma.

Structure
Thumb
Synonyms
  • Saridegib
External IDs
IPI 926 / IPI-926 / IPI-926 FREE BASE
Categories
UNII
JT96FPU35X
CAS number
1037210-93-7
Weight
Average: 504.77
Monoisotopic: 504.338564588
Chemical Formula
C29H48N2O3S
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

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
25027363
PubChem Substance
347828860
ChemSpider
24611265
BindingDB
50293788
ChEMBL
CHEMBL538867

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdenocarcinomas / Malignant Neoplasm of Pancreas / Neoplasms, Pancreatic1
1CompletedTreatmentNeoplasms1
1CompletedTreatmentRecurrent Head and Neck Cancer1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific1
1, 2CompletedTreatmentPancreatic Cancer Metastatic1
2CompletedTreatmentBasal Cell Nevus Syndrome1
2CompletedTreatmentConventional Chondrosarcoma1
2CompletedTreatmentFibrosis, Bone Marrow / Primary Myelofibrosis1
3Not Yet RecruitingTreatmentBasal Cell Nevus Syndrome1
Not AvailableCompletedTreatmentBasal Cell Carcinoma (BCC) / Chondrosarcomas1

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

Taxonomy

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
Piperidine / Organic sulfonic acid amide / Organosulfonic acid amide / Oxolane / Organic sulfonic acid or derivatives / Organosulfonic acid or derivatives / Sulfonyl / Aminosulfonyl compound / Dialkyl ether / Secondary amine
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:28 / Updated on November 02, 2018 07:28