EcoDrugPlus


Synonyms	GSK625433 Gsk-625433
Status
Molecule Category	Free-form
UNII	2YAD6KT0NT

Synonyms

GSK625433

Gsk-625433

Status

Molecule Category

Free-form

UNII

2YAD6KT0NT


InChI Key	HLQXYDHLDZTWDW-KAWPREARSA-N
Smiles	COC[C@H]1C[C@@](Cn2cccn2)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1
InChI	InChI=1S/C26H32N4O5S/c1-25(2,3)19-8-7-17(13-20(19)35-5)23(31)30-21(22-27-10-12-36-22)18(15-34-4)14-26(30,24(32)33)16-29-11-6-9-28-29/h6-13,18,21H,14-16H2,1-5H3,(H,32,33)/t18-,21-,26-/m1/s1

InChI Key

HLQXYDHLDZTWDW-KAWPREARSA-N

Smiles

COC[C@H]1C[C@@](Cn2cccn2)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1

InChI

InChI=1S/C26H32N4O5S/c1-25(2,3)19-8-7-17(13-20(19)35-5)23(31)30-21(22-27-10-12-36-22)18(15-34-4)14-26(30,24(32)33)16-29-11-6-9-28-29/h6-13,18,21H,14-16H2,1-5H3,(H,32,33)/t18-,21-,26-/m1/s1

Property Name	Value
Molecular Formula	C26H32N4O5S
Molecular Weight	512.63
AlogP	4.02
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	106.78
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C26H32N4O5S

Molecular Weight

512.63

AlogP

4.02

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

106.78

Molecular species

ACID

Aromatic Rings

3.0

Heavy Atoms

36.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Hepatitis C virus subtype 1a	290	-	-	-	-
Hepatitis C virus subtype 1b	2	-	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Hepatitis C virus subtype 1a

290

Hepatitis C virus subtype 1b

Resources	Reference
ChEMBL	CHEMBL2024212
FDA SRS	2YAD6KT0NT
PubChem	11569786
SureChEMBL	SCHEMBL5186945

Resources

Reference

ChEMBL

FDA SRS

PubChem

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-625433

Structure

Physicochemical Descriptors

Pharmacology

Cross References