EcoDrugPlus


Synonyms	Dyclonine
Status
Molecule Category	Free-form
ATC	N01BX02 R02AD04
UNII	078A24Q30O
EPA CompTox	DTXSID6047864

Synonyms

Dyclonine

Status

Molecule Category

Free-form

ATC

N01BX02 R02AD04

UNII

078A24Q30O

EPA CompTox

DTXSID6047864


InChI Key	BZEWSEKUUPWQDQ-UHFFFAOYSA-N
Smiles	CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
InChI	InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3

InChI Key

BZEWSEKUUPWQDQ-UHFFFAOYSA-N

Smiles

CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1

InChI

InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3

Property Name	Value
Molecular Formula	C18H27NO2
Molecular Weight	289.42
AlogP	3.92
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	29.54
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H27NO2

Molecular Weight

289.42

AlogP

3.92

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

8.0

Polar Surface Area

29.54

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

21.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	181	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

181

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	181	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

181

Resources	Reference
ChEBI	4724
ChEMBL	CHEMBL1201217
DrugBank	DB00645
DrugCentral	974
FDA SRS	078A24Q30O
Human Metabolome Database	HMDB0014783
Guide to Pharmacology	7173
KEGG	C07881
PharmGKB	PA164748037
PubChem	3180
SureChEMBL	SCHEMBL25773
ZINC	ZINC000001530940

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0014783

Guide to Pharmacology

KEGG

PharmGKB

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

DYCLONINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References