EcoDrugPlus


Synonyms	Thiopropazate
Status
Molecule Category	Free-form
ATC	N05AB05
UNII	0JFY081Q2X
EPA CompTox	DTXSID6023654


InChI Key	AIUHRQHVWSUTGJ-UHFFFAOYSA-N
Smiles	CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChI	InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3

Property Name	Value
Molecular Formula	C23H28ClN3O2S
Molecular Weight	446.02
AlogP	4.51
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	7.0
Polar Surface Area	36.02
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Resources	Reference
ChEBI	59119
ChEMBL	CHEMBL1697851
DrugBank	DB13557
DrugCentral	2634
FDA SRS	0JFY081Q2X
PubChem	6762
SureChEMBL	SCHEMBL144729
ZINC	ZINC000022446680

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

THIOPROPAZATE

Structure

Physicochemical Descriptors

Related Entries

Cross References