EcoDrugPlus


Synonyms	GSK232802 Gsk-232802 Gsk232802
Status
Molecule Category	Free-form
UNII	AG92SGO434

Synonyms

GSK232802

Gsk-232802

Gsk232802

Status

Molecule Category

Free-form

UNII

AG92SGO434


InChI Key	KNQLNDPHLXIOCY-UHFFFAOYSA-N
Smiles	CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C(=O)O)cc2)CC(C)(C)C1
InChI	InChI=1S/C24H28O3/c1-23(2)13-19(14-24(3,4)15-23)21(17-9-11-20(25)12-10-17)16-5-7-18(8-6-16)22(26)27/h5-12,25H,13-15H2,1-4H3,(H,26,27)

InChI Key

KNQLNDPHLXIOCY-UHFFFAOYSA-N

Smiles

CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C(=O)O)cc2)CC(C)(C)C1

InChI

InChI=1S/C24H28O3/c1-23(2)13-19(14-24(3,4)15-23)21(17-9-11-20(25)12-10-17)16-5-7-18(8-6-16)22(26)27/h5-12,25H,13-15H2,1-4H3,(H,26,27)

Property Name	Value
Molecular Formula	C24H28O3
Molecular Weight	364.49
AlogP	6.13
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	57.53
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C24H28O3

Molecular Weight

364.49

AlogP

6.13

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

57.53

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

27.0

Resources	Reference
ChEMBL	CHEMBL4297493
DrugBank	DB16110
FDA SRS	AG92SGO434
SureChEMBL	SCHEMBL3467757

Resources

Reference

ChEMBL

DrugBank

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

GSK-232802

Structure

Physicochemical Descriptors

Cross References