AFACIFENACIN

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Search structure


Synonyms	Afacifenacin NS-986 Smp-986
Status
Molecule Category	Free-form
UNII	XQU62QZ74P

Structure


InChI Key	IJUMFEAYOMCXAQ-UHFFFAOYSA-N
Smiles	O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
InChI	InChI=1S/C27H26F3N3O2/c28-27(29,30)35-22-10-6-7-19(17-22)18-32-15-13-21(14-16-32)33-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)31-26(33)34/h1-12,17,21,25H,13-16,18H2,(H,31,34)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C27H26F3N3O2
Molecular Weight	481.52
AlogP	6.19
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	44.81
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	35.0

Pharmacology

Mechanism of Action	Action	Reference
Muscarinic acetylcholine receptor antagonist	ANTAGONIST	Other Other

Target Conservation


Protein: Muscarinic acetylcholine receptor Description: Muscarinic acetylcholine receptor M2 Organism : Homo sapiens P08172 ENSG00000181072










Protein: Muscarinic acetylcholine receptor Description: Muscarinic acetylcholine receptor M4 Organism : Homo sapiens P08173 ENSG00000180720











Protein: Muscarinic acetylcholine receptor Description: Muscarinic acetylcholine receptor M5 Organism : Homo sapiens P08912 ENSG00000184984












Protein: Muscarinic acetylcholine receptor Description: Muscarinic acetylcholine receptor M1 Organism : Homo sapiens P11229 ENSG00000168539










Protein: Muscarinic acetylcholine receptor Description: Muscarinic acetylcholine receptor M3 Organism : Homo sapiens P20309 ENSG00000133019











Protein: Sodium channel protein type XI alpha subunit Description: Sodium channel protein type 11 subunit alpha Organism : Homo sapiens Q9UI33 ENSG00000168356







Protein: Sodium channel protein type X alpha subunit Description: Sodium channel protein type 10 subunit alpha Organism : Homo sapiens Q9Y5Y9 ENSG00000185313

Cross References

Resources	Reference
ChEMBL	CHEMBL3545165
FDA SRS	XQU62QZ74P
PubChem	42647276
SureChEMBL	SCHEMBL1192029

CONTENTS

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...

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Last update: Monday, 3 November 2025