EcoDrugPlus


Synonyms	GSK-376501A GSK376501 GSK376501A Gsk-376501 Gsk376501
Status
Molecule Category	Free-form
UNII	7511RY999U

Synonyms

GSK-376501A

GSK376501

GSK376501A

Gsk-376501

Gsk376501

Status

Molecule Category

Free-form

UNII

7511RY999U


InChI Key	OIDYMQICWGYEDR-UHFFFAOYSA-N
Smiles	COCCOc1cc(Cn2c(C(=O)O)c(-c3ccc(C(C)(C)C)cc3)c3ccccc32)cc(OCCOC)c1
InChI	InChI=1S/C32H37NO6/c1-32(2,3)24-12-10-23(11-13-24)29-27-8-6-7-9-28(27)33(30(29)31(34)35)21-22-18-25(38-16-14-36-4)20-26(19-22)39-17-15-37-5/h6-13,18-20H,14-17,21H2,1-5H3,(H,34,35)

InChI Key

OIDYMQICWGYEDR-UHFFFAOYSA-N

Smiles

COCCOc1cc(Cn2c(C(=O)O)c(-c3ccc(C(C)(C)C)cc3)c3ccccc32)cc(OCCOC)c1

InChI

InChI=1S/C32H37NO6/c1-32(2,3)24-12-10-23(11-13-24)29-27-8-6-7-9-28(27)33(30(29)31(34)35)21-22-18-25(38-16-14-36-4)20-26(19-22)39-17-15-37-5/h6-13,18-20H,14-17,21H2,1-5H3,(H,34,35)

Property Name	Value
Molecular Formula	C32H37NO6
Molecular Weight	531.65
AlogP	6.4
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	79.15
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	39.0

Property Name

Value

Molecular Formula

C32H37NO6

Molecular Weight

531.65

AlogP

6.4

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

79.15

Molecular species

ACID

Aromatic Rings

4.0

Heavy Atoms

39.0

Resources	Reference
ChEMBL	CHEMBL4297386
DrugBank	DB12654
FDA SRS	7511RY999U
PubChem	24946920
SureChEMBL	SCHEMBL2813131

Resources

Reference

ChEMBL

DrugBank

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-376501

Structure

Physicochemical Descriptors

Cross References