EcoDrugPlus


Molecule Category	Free-form
UNII	E3H4QZ94UY
EPA CompTox	DTXSID9062304
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Molecule Category

Free-form

UNII

EPA CompTox

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	UPHOPMSGKZNELG-UHFFFAOYSA-N
Smiles	OC(=O)c1c(O)ccc2ccccc12
InChI	InChI=1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)

InChI Key

UPHOPMSGKZNELG-UHFFFAOYSA-N

Smiles

OC(=O)c1c(O)ccc2ccccc12

InChI

InChI=1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)

Property Name	Value
Molecular Formula	C11H8O3
Molecular Weight	188.18
AlogP	2.13
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	57.53
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H8O3

Molecular Weight

188.18

AlogP

2.13

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

57.53

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

14.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Helianthus tuberosus	-	890	-	-	-
Populus sieboldii x Populus grandidentata	-	880	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Helianthus tuberosus

890

Populus sieboldii x Populus grandidentata

880

Resources	Reference
CAS NUMBER	2283-08-1
ChEMBL	CHEMBL2269234
FDA SRS	E3H4QZ94UY
SureChEMBL	SCHEMBL4268

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

SureChEMBL

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

2-HYDROXY-1-NAPHTHOIC ACID

Structure

Physicochemical Descriptors

Pharmacology

Cross References