Avacopan

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

Identification

Name
Avacopan
Accession Number
DB15011
Description

Avacopan is under investigation in clinical trial NCT02994927 (A Phase 3 Clinical Trial of CCX168 (Avacopan) in Patients With ANCA-Associated Vasculitis).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 581.656
Monoisotopic: 581.266540031
Chemical Formula
C33H35F4N3O2
Synonyms
Not Available
External IDs
  • CCX168

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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

Products

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoyl derivatives
Direct Parent
1-benzoylpiperidines
Alternative Parents
N-benzoylpiperidines / Phenylpiperidines / 2-halobenzoic acids and derivatives / Trifluoromethylbenzenes / o-Toluamides / Anilides / Benzamides / Piperidinecarboxamides / Aniline and substituted anilines / N-arylamides
show 15 more
Substituents
1-benzoylpiperidine / 2-halobenzoic acid or derivatives / 3-piperidinecarboxamide / Alkyl fluoride / Alkyl halide / Amine / Amino acid or derivatives / Anilide / Aniline or substituted anilines / Aromatic heteromonocyclic compound
show 37 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
O880NM097T
CAS number
1346623-17-3
InChI Key
PUKBOVABABRILL-YZNIXAGQSA-N
InChI
InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1
IUPAC Name
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILES
CC1=CC=C(NC(=O)[[email protected]]2CCCN([[email protected]]2C2=CC=C(NC3CCCC3)C=C2)C(=O)C2=C(F)C=CC=C2C)C=C1C(F)(F)F

References

General References
Not Available
ChemSpider
52083514
ChEMBL
CHEMBL3989871
PDBe Ligand
EFD
PDB Entries
6c1r

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentANCA-Associated Vasculitis (AAV)1
2Active Not RecruitingTreatmentAcne Inversa / Hidradenitis Suppurativa (HS)1
2CompletedTreatmentANCA-Associated Vasculitis (AAV)1
2CompletedTreatmentImmunoglobulin A Nephropathy1
2CompletedTreatmentVasculitis1
2RecruitingTreatmentC3 Glomerulopathy (C3G)1
2TerminatedTreatmentAtypical Hemolytic Uremic Syndrome (aHUS)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
PropertyValueSource
Water Solubility0.000219 mg/mLALOGPS
logP6.82ALOGPS
logP7.59ChemAxon
logS-6.4ALOGPS
pKa (Strongest Acidic)14.05ChemAxon
pKa (Strongest Basic)4.98ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area61.44 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity158.6 m3·mol-1ChemAxon
Polarizability58.26 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 20, 2019 08:42 / Updated on June 12, 2020 10:53

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