AVACOPAN

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: O880NM097T

Structure
InChI Key PUKBOVABABRILL-YZNIXAGQSA-N
Smile Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H35F4N3O2
Molecular Weight 581.65
AlogP 8.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 61.44
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST C5a anaphylatoxin chemotactic receptor antagonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anti-Neutrophil Cytoplasmic Antibody-Associated Vasculitis 4 D056648 ClinicalTrials
Granulomatosis with Polyangiitis 4 D014890 FDA
Microscopic Polyangiitis 4 D055953 FDA
Anti-Neutrophil Cytoplasmic Antibody-Associated Vasculitis 4 D056648 FDA
Hidradenitis Suppurativa 2 D017497 ClinicalTrials
Glomerulonephritis, IGA 2 D005922 ClinicalTrials
Vasculitis 2 D014657 ClinicalTrials
Atypical Hemolytic Uremic Syndrome 2 D065766 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989871
DrugBank DB15011
FDA SRS O880NM097T
Guide to Pharmacology 9450
PDB EFD
SureChEMBL SCHEMBL2567144
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