EcoDrugPlus


Synonyms	Avacopan CCX-168 CCX168 Ccx168 Tavneos
Status
Molecule Category	Free-form
UNII	O880NM097T

Synonyms

Avacopan

CCX-168

CCX168

Ccx168

Tavneos

Status

Molecule Category

Free-form

UNII

O880NM097T


InChI Key	PUKBOVABABRILL-YZNIXAGQSA-N
Smiles	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

InChI Key

PUKBOVABABRILL-YZNIXAGQSA-N

Smiles

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

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

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

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

Mechanism of Action

Action

Reference

C5a anaphylatoxin chemotactic receptor antagonist

ANTAGONIST

PubMed

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

Resources

Reference

ChEMBL

CHEMBL3989871

DrugBank

DB15011

FDA SRS

O880NM097T

Guide to Pharmacology

9450

PDB

EFD

SureChEMBL

SCHEMBL2567144

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

AVACOPAN

Structure

Physicochemical Descriptors

Pharmacology

Cross References