EcoDrugPlus


Synonyms	LY2300559 Ly-2300559 Ly2300559
Status
Molecule Category	Free-form
UNII	Z572ZBT8XL

Synonyms

LY2300559

Ly-2300559

Ly2300559

Status

Molecule Category

Free-form

UNII

Z572ZBT8XL


InChI Key	DWQVYDLTPMGYNE-DEOSSOPVSA-N
Smiles	CCCc1c(OCc2ccc([C@H](O)c3cccc(C(=O)O)c3)cc2)ccc(C(C)=O)c1O
InChI	InChI=1S/C26H26O6/c1-3-5-22-23(13-12-21(16(2)27)25(22)29)32-15-17-8-10-18(11-9-17)24(28)19-6-4-7-20(14-19)26(30)31/h4,6-14,24,28-29H,3,5,15H2,1-2H3,(H,30,31)/t24-/m0/s1

InChI Key

DWQVYDLTPMGYNE-DEOSSOPVSA-N

Smiles

CCCc1c(OCc2ccc([C@H](O)c3cccc(C(=O)O)c3)cc2)ccc(C(C)=O)c1O

InChI

InChI=1S/C26H26O6/c1-3-5-22-23(13-12-21(16(2)27)25(22)29)32-15-17-8-10-18(11-9-17)24(28)19-6-4-7-20(14-19)26(30)31/h4,6-14,24,28-29H,3,5,15H2,1-2H3,(H,30,31)/t24-/m0/s1

Property Name	Value
Molecular Formula	C26H26O6
Molecular Weight	434.49
AlogP	4.91
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	104.06
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C26H26O6

Molecular Weight

434.49

AlogP

4.91

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

9.0

Polar Surface Area

104.06

Molecular species

ACID

Aromatic Rings

3.0

Heavy Atoms

32.0

Resources	Reference
ChEMBL	CHEMBL4297398
DrugBank	DB13016
FDA SRS	Z572ZBT8XL
PubChem	11611800
SureChEMBL	SCHEMBL481118

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

LY-2300559

Structure

Physicochemical Descriptors

Cross References