This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Petesicatib
- DrugBank Accession Number
- DB15297
- Background
Petesicatib is under investigation in clinical trial NCT02295332 (A Study of RG7625 in Healthy Volunteers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Petesicatib (DB15297)
- Weight
- Average: 603.54
Monoisotopic: 603.137494393 - Chemical Formula
- C25H23F6N5O4S
- Synonyms
- Petesicatib
- External IDs
- RG-7625
- RG7625
- RO-5459072
- RO5459072
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- A26QO95U37
- CAS number
- 1252637-35-6
- InChI Key
- KXAAIORSMACJSI-AEFFLSMTSA-N
- InChI
- InChI=1S/C25H23F6N5O4S/c1-35-11-15(10-33-35)14-2-3-19(17(8-14)24(26,27)28)41(39,40)16-9-18(20(37)34-22(13-32)4-5-22)36(12-16)21(38)23(6-7-23)25(29,30)31/h2-3,8,10-11,16,18H,4-7,9,12H2,1H3,(H,34,37)/t16-,18+/m1/s1
- IUPAC Name
- (2S,4R)-N-(1-cyanocyclopropyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonyl]-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
- SMILES
- CN1C=C(C=N1)C1=CC(=C(C=C1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F
References
- General References
- Not Available
- External Links
- ChemSpider
- 64835235
- ChEMBL
- CHEMBL4297638
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Sjogren's Syndrome (SS) 1 1 Completed Not Available Healthy Subjects (HS) 1 1 Completed Basic Science Healthy Subjects (HS) 1 1 Completed Treatment Gluten-Sensitive Enteropathy 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 0.0979 mg/mL ALOGPS logP 2.74 ALOGPS logP 2.3 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 9.77 Chemaxon pKa (Strongest Basic) 1.82 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 125.16 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 142.26 m3·mol-1 Chemaxon Polarizability 52.72 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 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
- Not Available
Drug created at May 20, 2019 15:09 / Updated at August 13, 2021 04:44