CETILISTAT

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Search structure


Synonyms	ATL-962 Cetilistat
Status
Molecule Category	Free-form
UNII	LC5G1JUA39
EPA CompTox	DTXSID90182506

Structure


InChI Key	MVCQKIKWYUURMU-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1
InChI	InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H39NO3
Molecular Weight	401.59
AlogP	7.36
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	16.0
Polar Surface Area	52.33
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	29.0

Pharmacology

Mechanism of Action	Action	Reference
Gastric lipase inhibitor	INHIBITOR	PubMed PubMed PubMed

Target Conservation


Protein: Pancreatic lipase Description: Pancreatic triacylglycerol lipase Organism : Homo sapiens P16233 ENSG00000175535

Cross References

Resources	Reference
ChEBI	134721
ChEMBL	CHEMBL2103825
DrugBank	DB06586
DrugCentral	4886
FDA SRS	LC5G1JUA39
PubChem	9952916
SureChEMBL	SCHEMBL367612
ZINC	ZINC000014128264

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