EcoDrugPlus


Molecule Category	Free-form
UNII	R7U3MEU7VR
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 ...

Molecule Category

Free-form

UNII

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	DQJCHOQLCLEDLL-UHFFFAOYSA-N
Smiles	Cc1cccc2sc3nncn3c12
InChI	InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3

InChI Key

DQJCHOQLCLEDLL-UHFFFAOYSA-N

Smiles

Cc1cccc2sc3nncn3c12

InChI

InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3

Property Name	Value
Molecular Formula	C9H7N3S
Molecular Weight	189.24
AlogP	2.47
Hydrogen Bond Acceptor	2.0
Polar Surface Area	58.43
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H7N3S

Molecular Weight

189.24

AlogP

2.47

Hydrogen Bond Acceptor

2.0

Polar Surface Area

58.43

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

13.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Magnaporthe grisea	-	474000	-	-	0-94
Magnaporthe oryzae	-	-	-	-	95

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Magnaporthe grisea

474000

0-94

Magnaporthe oryzae

Resources	Reference
ChEMBL	CHEMBL357021
FDA SRS	R7U3MEU7VR
PubChem	39040
SureChEMBL	SCHEMBL23082
ZINC	ZINC02006632

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

TRICYCLAZOLE

Structure

Physicochemical Descriptors

Pharmacology

Cross References