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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 17.61

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anti-Neutrophil Cytoplasmic Antibody-Associated Vasculitis 4 D056648 ClinicalTrials
Anti-Neutrophil Cytoplasmic Antibody-Associated Vasculitis 4 D056648 ClinicalTrials
Vasculitis 3 D014657 ClinicalTrials
Glomerulonephritis, IGA 2 D005922 ClinicalTrials
Hidradenitis Suppurativa 2 D017497 ClinicalTrials
Atypical Hemolytic Uremic Syndrome 2 D065766 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials

Related Entries

Scaffolds

Cross References

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