EcoDrugPlus


Synonyms	GSK2556286 Gsk-2556286 Gsk-286 Gsk2556286
Status
Molecule Category	Free-form
UNII	J9U8H9VQV0

Synonyms

GSK2556286

Gsk-2556286

Gsk-286

Gsk2556286

Status

Molecule Category

Free-form

UNII

J9U8H9VQV0


InChI Key	AZOFJHATIPDIER-UHFFFAOYSA-N
Smiles	Cc1cccc(OC2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)c1C
InChI	InChI=1S/C18H23N3O3/c1-12-4-3-5-16(13(12)2)24-15-6-8-21(9-7-15)11-14-10-17(22)20-18(23)19-14/h3-5,10,15H,6-9,11H2,1-2H3,(H2,19,20,22,23)

InChI Key

AZOFJHATIPDIER-UHFFFAOYSA-N

Smiles

Cc1cccc(OC2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)c1C

InChI

InChI=1S/C18H23N3O3/c1-12-4-3-5-16(13(12)2)24-15-6-8-21(9-7-15)11-14-10-17(22)20-18(23)19-14/h3-5,10,15H,6-9,11H2,1-2H3,(H2,19,20,22,23)

Property Name	Value
Molecular Formula	C18H23N3O3
Molecular Weight	329.4
AlogP	1.72
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	78.19
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H23N3O3

Molecular Weight

329.4

AlogP

1.72

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

78.19

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

24.0

Resources	Reference
ChEMBL	CHEMBL4650308
FDA SRS	J9U8H9VQV0

Resources

Reference

ChEMBL

CHEMBL4650308

FDA SRS

J9U8H9VQV0

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-2556286

Structure

Physicochemical Descriptors

Cross References