ROCACETRAPIB

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Search structure


Synonyms	CKD-519 Ckd-519 Rocacetrapib
Status
Molecule Category	Free-form
UNII	K9SP3L3YQP

Structure


InChI Key	GBHPDJQHZADVAA-SOKVYYICSA-N
Smiles	COc1cc(F)c(C(C)C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1
InChI	InChI=1S/C31H34F7NO3/c1-16(2)23-12-24(26(41-6)13-25(23)32)22-7-8-29(4,5)14-19(22)15-39-17(3)27(42-28(39)40)18-9-20(30(33,34)35)11-21(10-18)31(36,37)38/h9-13,16-17,27H,7-8,14-15H2,1-6H3/t17-,27-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C31H34F7NO3
Molecular Weight	601.6
AlogP	9.54
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	38.77
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	42.0

Pharmacology

Mechanism of Action	Action	Reference
Cholesteryl ester transfer protein inhibitor	INHIBITOR	Other

Target Conservation


Protein: Cholesteryl ester transfer protein Description: Cholesteryl ester transfer protein Organism : Homo sapiens P11597 ENSG00000087237

Cross References

Resources	Reference
ChEMBL	CHEMBL4297601
DrugBank	DB15437
FDA SRS	K9SP3L3YQP
PubChem	70674853
SureChEMBL	SCHEMBL13278711

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