EcoDrugPlus


Synonyms	AF 2838 AF-2838 Bindarit
Status
Molecule Category	Free-form
UNII	JQ11LH711M
EPA CompTox	DTXSID30156660

Synonyms

AF 2838

AF-2838

Bindarit

Status

Molecule Category

Free-form

UNII

JQ11LH711M

EPA CompTox

DTXSID30156660


InChI Key	MTHORRSSURHQPZ-UHFFFAOYSA-N
Smiles	CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O
InChI	InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)

InChI Key

MTHORRSSURHQPZ-UHFFFAOYSA-N

Smiles

CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O

InChI

InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)

Property Name	Value
Molecular Formula	C19H20N2O3
Molecular Weight	324.38
AlogP	3.46
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	64.35
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H20N2O3

Molecular Weight

324.38

AlogP

3.46

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

64.35

Molecular species

ACID

Aromatic Rings

3.0

Heavy Atoms

24.0

Resources	Reference
ChEMBL	CHEMBL2107549
DrugBank	DB12739
FDA SRS	JQ11LH711M
Guide to Pharmacology	11124
PubChem	71354
SureChEMBL	SCHEMBL187885
ZINC	ZINC000000004594

Resources

Reference

ChEMBL

CHEMBL2107549

DrugBank

DB12739

FDA SRS

JQ11LH711M

Guide to Pharmacology

PubChem

SureChEMBL

ZINC

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

BINDARIT

Structure

Physicochemical Descriptors

Cross References