ELISMETREP

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Search structure


Synonyms	Elismetrep MT-8554 Mt-8554
Status
Molecule Category	Free-form
UNII	KIB8V5UR7D

Structure


InChI Key	CWEFDWIKLABKBX-UHFFFAOYSA-N
Smiles	O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1
InChI	InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C27H21F3N2O5S
Molecular Weight	542.53
AlogP	6.1
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	96.8
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	38.0

Pharmacology

Mechanism of Action	Action	Reference
Transient receptor potential cation channel subfamily M member 8 inhibitor	INHIBITOR	Other Other

Target Conservation


Protein: Transient receptor potential cation channel subfamily M member 8 Description: Transient receptor potential cation channel subfamily M member 8 Organism : Homo sapiens Q7Z2W7 ENSG00000144481

Cross References

Resources	Reference
ChEMBL	CHEMBL3682589
DrugBank	DB15287
FDA SRS	KIB8V5UR7D
Guide to Pharmacology	9774
SureChEMBL	SCHEMBL12490163
ZINC	ZINC000203668161

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