EcoDrugPlus


Synonyms	FT-011 FT-11 Ft011 Shp-627
Status
Molecule Category	Free-form
UNII	C6V7ZU2NPR

Synonyms

FT-011

FT-11

Ft011

Shp-627

Status

Molecule Category

Free-form

UNII

C6V7ZU2NPR


InChI Key	UIWZIDIJCUEOMT-PKNBQFBNSA-N
Smiles	C#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC
InChI	InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+

InChI Key

UIWZIDIJCUEOMT-PKNBQFBNSA-N

Smiles

C#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC

InChI

InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+

Property Name	Value
Molecular Formula	C20H17NO5
Molecular Weight	351.36
AlogP	3.06
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	84.86
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C20H17NO5

Molecular Weight

351.36

AlogP

3.06

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

84.86

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

26.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	-	-	-	55-80

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Rattus norvegicus

55-80

Resources	Reference
ChEMBL	CHEMBL1075834
FDA SRS	C6V7ZU2NPR
SureChEMBL	SCHEMBL1590608
ZINC	ZINC000049050436

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

SHP-627

Structure

Physicochemical Descriptors

Pharmacology

Cross References