EcoDrugPlus


Synonyms	4-Methoxyfuro[2,3-B]Quinoline Dictamine Dictamnine
Molecule Category	Free-form
UNII	HQZ3798D0A
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-Methoxyfuro[2,3-B]Quinoline

Dictamine

Dictamnine

Molecule Category

Free-form

UNII

HQZ3798D0A

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	WIONIXOBNMDJFJ-UHFFFAOYSA-N
Smiles	COc1c2ccoc2nc3ccccc13
InChI	InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3

InChI Key

WIONIXOBNMDJFJ-UHFFFAOYSA-N

Smiles

COc1c2ccoc2nc3ccccc13

InChI

InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3

Property Name	Value
Molecular Formula	C12H9NO2
Molecular Weight	199.21
AlogP	2.5
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	35.26
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H9NO2

Molecular Weight

199.21

AlogP

2.5

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

35.26

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

15.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	12.6

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

12.6

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	12.6

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

12.6

Resources	Reference
ChEMBL	CHEMBL22533
FDA SRS	HQZ3798D0A
PubChem	68085
SureChEMBL	SCHEMBL1760700
ZINC	ZINC00265517

Resources

Reference

ChEMBL

FDA SRS

PubChem

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

DICTAMNINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References