EcoDrugPlus


Synonyms	GSK 2239633A GSK2239633 Gsk-2239633 Gsk-2239633a
Status
Molecule Category	Free-form
UNII	07ODS257BP
EPA CompTox	DTXSID401031224

Synonyms

GSK 2239633A

GSK2239633

Gsk-2239633

Gsk-2239633a

Status

Molecule Category

Free-form

UNII

07ODS257BP

EPA CompTox

DTXSID401031224


InChI Key	JVBQEIRQUCWMTR-UHFFFAOYSA-N
Smiles	COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(NC(=O)CO)c1
InChI	InChI=1S/C21H19ClN4O5S2/c1-31-16-7-3-6-15-20(16)21(25-33(29,30)19-9-8-17(22)32-19)24-26(15)11-13-4-2-5-14(10-13)23-18(28)12-27/h2-10,27H,11-12H2,1H3,(H,23,28)(H,24,25)

InChI Key

JVBQEIRQUCWMTR-UHFFFAOYSA-N

Smiles

COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(NC(=O)CO)c1

InChI

InChI=1S/C21H19ClN4O5S2/c1-31-16-7-3-6-15-20(16)21(25-33(29,30)19-9-8-17(22)32-19)24-26(15)11-13-4-2-5-14(10-13)23-18(28)12-27/h2-10,27H,11-12H2,1H3,(H,23,28)(H,24,25)

Property Name	Value
Molecular Formula	C21H19ClN4O5S2
Molecular Weight	506.99
AlogP	3.54
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	122.55
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C21H19ClN4O5S2

Molecular Weight

506.99

AlogP

3.54

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

8.0

Polar Surface Area

122.55

Molecular species

ACID

Aromatic Rings

4.0

Heavy Atoms

33.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor	-	-	-	10	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor

Resources	Reference
CAS NUMBER	1240516-71-5
ChEMBL	CHEMBL2178575
FDA SRS	07ODS257BP
PubChem	46861584

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

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, 27^th July 2026

GSK-2239633

Structure

Physicochemical Descriptors

Pharmacology

Cross References