None is not found in the database.

LIFITEGRAST


Trade Names	XIIDRA
Synonyms	Lifitegrast SAR 1118 SAR-1118 SHP-606 SHP606 Xiidra
Status
Molecule Category	Free-form
ATC	S01XA25
UNII	038E5L962W
EPA CompTox	DTXSID60145345

Structure


InChI Key	JFOZKMSJYSPYLN-QHCPKHFHSA-N
Smiles	CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1
InChI	InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C29H24Cl2N2O7S
Molecular Weight	615.49
AlogP	4.77
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	133.99
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	41.0

Pharmacology

Mechanism of Action	Action	Reference
Integrin alpha-L/beta-2 (LFA-1) antagonist	ANTAGONIST	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Adhesion	-	2.98-74	-	-	-
Membrane receptor	-	9-74	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	2.98-74	-	-	-

Cross References

Resources	Reference
ChEBI	133023
ChEMBL	CHEMBL2048028
DrugBank	DB11611
DrugCentral	5174
FDA SRS	038E5L962W
Guide to Pharmacology	7533
PubChem	11965427
SureChEMBL	SCHEMBL2632068
ZINC	ZINC000084668739

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...

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

Last update: Monday, 3 November 2025