Patidegib
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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
- 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
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 25027363
- PubChem Substance
- 347828860
- ChemSpider
- 24611265
- BindingDB
- 50293788
- ChEMBL
- CHEMBL538867
- ZINC
- ZINC000043197072
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Nevoid Basal Cell Carcinoma (BCC) Syndrome 1 3 Recruiting Prevention Nevoid Basal Cell Carcinoma (BCC) Syndrome 1 3 Terminated Treatment Nevoid Basal Cell Carcinoma (BCC) Syndrome 1 2 Completed Treatment Basal Cell Carcinoma (BCC) 1 2 Completed Treatment Conventional Chondrosarcoma 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 0.000464 mg/mL ALOGPS logP 3.77 ALOGPS logP 3.57 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 11.58 Chemaxon pKa (Strongest Basic) 9.99 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 67.43 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 140.78 m3·mol-1 Chemaxon Polarizability 60.43 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 238.0689212 predictedDarkChem Lite v0.1.0 [M-H]- 225.4955 predictedDeepCCS 1.0 (2019) [M+H]+ 238.3327212 predictedDarkChem Lite v0.1.0 [M+H]+ 227.32039 predictedDeepCCS 1.0 (2019) [M+Na]+ 237.9591212 predictedDarkChem Lite v0.1.0 [M+Na]+ 233.16132 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:28 / Updated at January 14, 2023 19:02