EcoDrugPlus


Synonyms	AGI-1067 Succinobucol
Status
Molecule Category	Free-form
UNII	J1J54V24R4
EPA CompTox	DTXSID10176003


InChI Key	RKSMVPNZHBRNNS-UHFFFAOYSA-N
Smiles	CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1
InChI	InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)

Property Name	Value
Molecular Formula	C35H52O5S2
Molecular Weight	616.93
AlogP	9.97
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	83.83
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	42.0

Mechanism of Action	Action	Reference
Antioxidant, anti-inflammatory, antiplatelet	None	PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mus musculus	-	-	-	-	43
Oryctolagus cuniculus	-	-	-	-	94

Resources	Reference
ChEMBL	CHEMBL83626
DrugBank	DB05399
FDA SRS	J1J54V24R4
PubChem	216325
SureChEMBL	SCHEMBL347492
ZINC	ZINC000003937467

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

SUCCINOBUCOL

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References