PROBUCOL


Trade Names	LORELCO
Synonyms	Bisbid DH-581 Lorelco Lurselle NSC-652160 NSC-86225 Probucol Sinlestal
Status
Molecule Category	Free-form
ATC	C10AX02
UNII	P3CTH044XJ
EPA CompTox	DTXSID2045440


InChI Key	FYPMFJGVHOHGLL-UHFFFAOYSA-N
Smiles	CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI	InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3

Property Name	Value
Molecular Formula	C31H48O2S2
Molecular Weight	516.86
AlogP	9.91
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	40.46
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	35.0

Mechanism of Action	Action	Reference
ATP-binding cassette sub-family A member 1 inhibitor	INHIBITOR	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	27-37
Enzyme Transferase	-	-	-	-	29
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	90.56-102.24

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	90.56-102.24
Homo sapiens	-	600-600	-	-	29
Rattus norvegicus	-	-	-	-	11-18
Sus scrofa	-	500	-	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	8427
ChEMBL	CHEMBL608
DrugBank	DB01599
DrugCentral	2269
FDA SRS	P3CTH044XJ
Human Metabolome Database	HMDB0015537
Guide to Pharmacology	7277
KEGG	C07373
PharmGKB	PA451107
PubChem	4912
SureChEMBL	SCHEMBL4150
ZINC	ZINC000001530755

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

PROBUCOL

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References