EcoDrugPlus


Synonyms	Efaproxiral RSR-13 RSR13
Status
Molecule Category	Free-form
ATC	L01XD06
UNII	J81E81G364
EPA CompTox	DTXSID40156934

Synonyms

Efaproxiral

RSR-13

RSR13

Status

Molecule Category

Free-form

ATC

L01XD06

UNII

J81E81G364

EPA CompTox

DTXSID40156934


InChI Key	BNFRJXLZYUTIII-UHFFFAOYSA-N
Smiles	Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1
InChI	InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)

InChI Key

BNFRJXLZYUTIII-UHFFFAOYSA-N

Smiles

Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1

InChI

InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)

Property Name	Value
Molecular Formula	C20H23NO4
Molecular Weight	341.41
AlogP	3.73
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	75.63
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C20H23NO4

Molecular Weight

341.41

AlogP

3.73

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

75.63

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

25.0

Mechanism of Action	Action	Reference
Hemoglobin HbA negative modulator	NEGATIVE MODULATOR	PubMed PubMed

Mechanism of Action

Action

Reference

Hemoglobin HbA negative modulator

NEGATIVE MODULATOR

PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL18901
DrugBank	DB08486
DrugCentral	4465
FDA SRS	J81E81G364
PDB	RQ3
PubChem	122335
SureChEMBL	SCHEMBL1649963
ZINC	ZINC000001481819

Resources

Reference

ChEMBL

DrugBank

DrugCentral

FDA SRS

PDB

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

EFAPROXIRAL

Structure

Physicochemical Descriptors

Pharmacology

Cross References