LOMITAPIDE

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Search structure


Synonyms	AEGR-733 BMS-201038 BMS-201038-01 Lojuxta Lomitapide
Status
Molecule Category	Free-form
ATC	C10AX12
UNII	82KUB0583F
EPA CompTox	DTXSID50171294

Structure


InChI Key	MBBCVAKAJPKAKM-UHFFFAOYSA-N
Smiles	O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C39H37F6N3O2
Molecular Weight	693.73
AlogP	8.38
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	61.44
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	50.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Other cytosolic protein	-	0.8-8	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	8	-	-	-

Cross References

Resources	Reference
ChEBI	72297
ChEMBL	CHEMBL354541
DrugBank	DB08827
DrugCentral	4721
FDA SRS	82KUB0583F
Guide to Pharmacology	7439
PubChem	9853053
SureChEMBL	SCHEMBL304604
ZINC	ZINC000027990463

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