EcoDrugPlus


Synonyms	An-2718 An2718
Status
Molecule Category	Free-form
UNII	810U6C2DGG
EPA CompTox	DTXSID60169889


InChI Key	HMAFTPZYFJFEHK-UHFFFAOYSA-N
Smiles	OB1OCc2cc(Cl)ccc21
InChI	InChI=1S/C7H6BClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2

Property Name	Value
Molecular Formula	C7H6BClO2
Molecular Weight	168.39

Resources	Reference
ChEMBL	CHEMBL211538
DrugBank	DB12810
FDA SRS	810U6C2DGG
PubChem	11845944
SureChEMBL	SCHEMBL500874
ZINC	ZINC000169981748

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

AN-2718

Structure

Physicochemical Descriptors

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