EcoDrugPlus


Synonyms	GSK-295 GSK-923295 GSK923295 Gsk-923295a Gsk923295
Status
Molecule Category	Free-form
UNII	072702W9QD
EPA CompTox	DTXSID50677145

Synonyms

GSK-295

GSK-923295

GSK923295

Gsk-923295a

Gsk923295

Status

Molecule Category

Free-form

UNII

072702W9QD

EPA CompTox

DTXSID50677145


InChI Key	WHMXDBPHBVLYRC-OFVILXPXSA-N
Smiles	CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl
InChI	InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25-/m0/s1

InChI Key

WHMXDBPHBVLYRC-OFVILXPXSA-N

Smiles

CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl

InChI

InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25-/m0/s1

Property Name	Value
Molecular Formula	C32H38ClN5O4
Molecular Weight	592.14
AlogP	4.51
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	12.0
Polar Surface Area	108.2
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	42.0

Property Name

Value

Molecular Formula

C32H38ClN5O4

Molecular Weight

592.14

AlogP

4.51

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

12.0

Polar Surface Area

108.2

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

42.0

Resources	Reference
ChEMBL	CHEMBL4303470
FDA SRS	072702W9QD
SureChEMBL	SCHEMBL1492164
ZINC	ZINC000068151184

Resources

Reference

ChEMBL

FDA SRS

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

GSK-923295A

Structure

Physicochemical Descriptors

Cross References