EcoDrugPlus


Synonyms	Luotonin A
Molecule Category	Free-form
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

Luotonin A

Molecule Category

Free-form

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	LUMDXNLBIYLTER-UHFFFAOYSA-N
Smiles	O=C1N2Cc3cc4ccccc4nc3C2=Nc5ccccc15
InChI	InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2

InChI Key

LUMDXNLBIYLTER-UHFFFAOYSA-N

Smiles

O=C1N2Cc3cc4ccccc4nc3C2=Nc5ccccc15

InChI

InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2

Property Name	Value
Molecular Formula	C18H11N3O
Molecular Weight	285.3
AlogP	3.07
Hydrogen Bond Acceptor	3.0
Polar Surface Area	45.56
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H11N3O

Molecular Weight

285.3

AlogP

3.07

Hydrogen Bond Acceptor

3.0

Polar Surface Area

45.56

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

22.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	61080-61250	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

61080-61250

Resources	Reference
ChEMBL	CHEMBL19163
PubChem	10334120

Resources

Reference

ChEMBL

CHEMBL19163

PubChem

10334120

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

LUOTONIN A

Structure

Physicochemical Descriptors

Pharmacology

Cross References