Details of the Drug

General Information of Drug (ID: DM5LQHB)

• Drug Name: Avacopan
• Synonyms: CCX-168

Indication

Disease Entry	ICD 11	Status	REF
Anca-associated vasculitis	4A44.A	Approved	[1]
Eosinophilic granulomatosis with polyangiitis	4A44.A2	Phase 2	[2]
Hereditary haemolytic anemia	3A10.3	Phase 2	[2]

• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 581.6
  Logarithm of the Partition Coefficient (xlogp); 7.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• ADMET Property:
  Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 3466 +/- 1921 mcgh/L [3]
  Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 349 +/- 169 mcg/L [3]
  Clearance: The clearance of drug is 16.3 L/h [3]
  Elimination: Following oral administration of the radiolabeled drug, roughly 77% (7% as unchanged avacopan) was recovered in feces while 10% (<0.1% unchanged) was recovered in urine [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 97.6 hours (avacopan), and 55.6 hours (its M1 metabolite) [3]
  Metabolism: The drug is metabolized via the CYP3A4 [3]
  Vd: The volume of distribution (Vd) of drug is 345 L [3]
• Chemical Identifiers:
  Formula: C33H35F4N3O2
  IUPAC Name: (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
  Canonical SMILES: CC1=C(C(=CC=C1)F)C(=O)N2CCC[C@@H]([C@@H]2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(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
  InChIKey: PUKBOVABABRILL-YZNIXAGQSA-N
• Cross-matching ID:
  PubChem CID: 49841217
  CAS Number: 1346623-17-3
  TTD ID: D0MR4Q
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
C5a anaphylatoxin chemotactic receptor (C5AR1)	TTHXFA1	C5AR1_HUMAN	Antagonist	[4]

Molecular Expression Atlas of This Drug

• The Studied Disease: Anca-associated vasculitis
• ICD Disease Classification: 4A44.A

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
C5a anaphylatoxin chemotactic receptor (C5AR1)	DTT	C5AR1	3.99E-01	1.19	0.77

References

• [1] FDA Approved Drug Products from FDA Official Website. 2021. Application Number: 214487.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] FDA Approved Drug Products: TAVNEOS (avacopan) capsules
• [4] Clinical pipeline report, company report or official report of ChemoCentryx.