OBICETRAPIB

/static/temp/default.svg

Search structure


Synonyms	AMG-899 DEZ-001 Obicetrapib TA-8995 Ta-8995
Status
Molecule Category	Free-form
UNII	8O74K609HN

Structure


InChI Key	NRWORBQAOQVYBJ-GJZUVCINSA-N
Smiles	CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)O)cn2)C[C@H]1CC
InChI	InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C32H31F9N4O5
Molecular Weight	722.61
AlogP	8.67
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	11.0
Polar Surface Area	105.09
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	50.0

Pharmacology

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

Target Conservation


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

Cross References

Resources	Reference
ChEMBL	CHEMBL3785197
DrugBank	DB14890
FDA SRS	8O74K609HN
PubChem	11498596
SureChEMBL	SCHEMBL17002081
ZINC	ZINC000161884690

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