EcoDrugPlus


Synonyms	GNF-Pf-838
Molecule Category	Free-form
UNII	O41630Y8V3
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

GNF-Pf-838

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	SSEUDFYBEOIWGF-CQSZACIVSA-N
Smiles	COc1cc2c3C[C@H]4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC
InChI	InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m1/s1

InChI Key

SSEUDFYBEOIWGF-CQSZACIVSA-N

Smiles

COc1cc2c3C[C@H]4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC

InChI

InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m1/s1

Property Name	Value
Molecular Formula	C24H27NO4
Molecular Weight	393.48
AlogP	4.22
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	4.0
Polar Surface Area	40.16
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C24H27NO4

Molecular Weight

393.48

AlogP

4.22

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

4.0

Polar Surface Area

40.16

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

29.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Tobacco mosaic virus	-	-	-	-	0-62.1

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Tobacco mosaic virus

0-62.1

Resources	Reference
ChEMBL	CHEMBL258137
FDA SRS	O41630Y8V3
PubChem	10883727
SureChEMBL	SCHEMBL8977400

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TYLOPHORINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References