EcoDrugPlus


Synonyms	4,8-Dimethoxyfuro[2,3-B]Quinoline 8-Methoxy-Dictamine Gamma-Fagarine
Molecule Category	Free-form
UNII	GKS8Q870TY
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

4,8-Dimethoxyfuro[2,3-B]Quinoline

8-Methoxy-Dictamine

Gamma-Fagarine

Molecule Category

Free-form

UNII

GKS8Q870TY

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	KFBCTNNQFGONHB-UHFFFAOYSA-N
Smiles	COc1cccc2c(OC)c3ccoc3nc12
InChI	InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3

InChI Key

KFBCTNNQFGONHB-UHFFFAOYSA-N

Smiles

COc1cccc2c(OC)c3ccoc3nc12

InChI

InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3

Property Name	Value
Molecular Formula	C13H11NO3
Molecular Weight	229.23
AlogP	2.49
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	44.49
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H11NO3

Molecular Weight

229.23

AlogP

2.49

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

44.49

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

17.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	24.3

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

24.3

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	24.3

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

24.3

Resources	Reference
ChEMBL	CHEMBL252925
FDA SRS	GKS8Q870TY
PubChem	107936
SureChEMBL	SCHEMBL679918

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...

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Last update: Monday, 3 November 2025

GAMMA-FAGARINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References