EcoDrugPlus


Synonyms	GSK945237 Gsk-945237 Gsk945237
Status
Molecule Category	Free-form
UNII	U9T63BZ3AS

Synonyms

GSK945237

Gsk-945237

Gsk945237

Status

Molecule Category

Free-form

UNII

U9T63BZ3AS


InChI Key	SRICOHRDRMZREQ-MRXNPFEDSA-N
Smiles	O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2cc3c(nn2)OCCO3)CC1
InChI	InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1

InChI Key

SRICOHRDRMZREQ-MRXNPFEDSA-N

Smiles

O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2cc3c(nn2)OCCO3)CC1

InChI

InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1

Property Name	Value
Molecular Formula	C24H26FN5O3
Molecular Weight	451.5
AlogP	2.05
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	81.51
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C24H26FN5O3

Molecular Weight

451.5

AlogP

2.05

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

81.51

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

33.0

Resources	Reference
ChEMBL	CHEMBL3793226
DrugBank	DB15345
FDA SRS	U9T63BZ3AS
PDB	6EJ
PubChem	119057475
ZINC	ZINC000138115734

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PDB

PubChem

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

GSK-945237

Structure

Physicochemical Descriptors

Cross References