NAV

Petesicatib

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
3D
Similar Structures
Weight
Average: 603.54
Monoisotopic: 603.137494393
Chemical Formula
C25H23F6N5O4S
Synonyms
  • Petesicatib
External IDs
  • RG-7625
  • RG7625
  • RO-5459072
  • RO5459072
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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
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
ChemSpider
64835235
ChEMBL
CHEMBL4297638

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentSjögren's Syndrome (SS)1
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedTreatmentCeliac Disease1

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 Solubility0.0979 mg/mLALOGPS
logP2.74ALOGPS
logP2.3Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)9.77Chemaxon
pKa (Strongest Basic)1.82Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area125.16 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity142.26 m3·mol-1Chemaxon
Polarizability52.72 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0udi-0000009000-24fbb68d9420b9ffb134
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0000019000-ff66fd0886bb739b7b0b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-1000095000-7a0c5f9c7189e913eb0a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1020194000-97e68380981a58969c0e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-1011090000-7f2aac91a1d2b71effb5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f9x-4001492000-56266db68eef766f128b
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:09 / Updated at August 13, 2021 04:44