EcoDrugPlus


Synonyms	GSK356278 Gsk-356278 Gsk356278
Status
Molecule Category	Free-form
UNII	1QTA9P992C
EPA CompTox	DTXSID40222401

Synonyms

GSK356278

Gsk-356278

Gsk356278

Status

Molecule Category

Free-form

UNII

1QTA9P992C

EPA CompTox

DTXSID40222401


InChI Key	AWDJJMXJUOHGLC-UHFFFAOYSA-N
Smiles	CCn1ncc2c(NC3CCOCC3)c(-c3nnc(Cc4sc(C)nc4C)o3)cnc21
InChI	InChI=1S/C21H25N7O2S/c1-4-28-20-15(11-23-28)19(25-14-5-7-29-8-6-14)16(10-22-20)21-27-26-18(30-21)9-17-12(2)24-13(3)31-17/h10-11,14H,4-9H2,1-3H3,(H,22,25)

InChI Key

AWDJJMXJUOHGLC-UHFFFAOYSA-N

Smiles

CCn1ncc2c(NC3CCOCC3)c(-c3nnc(Cc4sc(C)nc4C)o3)cnc21

InChI

InChI=1S/C21H25N7O2S/c1-4-28-20-15(11-23-28)19(25-14-5-7-29-8-6-14)16(10-22-20)21-27-26-18(30-21)9-17-12(2)24-13(3)31-17/h10-11,14H,4-9H2,1-3H3,(H,22,25)

Property Name	Value
Molecular Formula	C21H25N7O2S
Molecular Weight	439.55
AlogP	3.76
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	103.78
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C21H25N7O2S

Molecular Weight

439.55

AlogP

3.76

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

103.78

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

31.0

Resources	Reference
ChEMBL	CHEMBL4297384
DrugBank	DB12542
FDA SRS	1QTA9P992C
PubChem	10252640
SureChEMBL	SCHEMBL2412775
ZINC	ZINC000038428932

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

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-356278

Structure

Physicochemical Descriptors

Cross References