EcoDrugPlus


Synonyms	Afobazol Afobazole Aphobazole CM-346 Fabomotizole Obenoxazine
Status
Molecule Category	Free-form
ATC	N05BX04
UNII	0F8K1X115C
EPA CompTox	DTXSID00169606

Synonyms

Afobazol

Afobazole

Aphobazole

CM-346

Fabomotizole

Obenoxazine

Status

Molecule Category

Free-form

ATC

N05BX04

UNII

0F8K1X115C

EPA CompTox

DTXSID00169606


InChI Key	WWNUCVSRRUDYPP-UHFFFAOYSA-N
Smiles	CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1
InChI	InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)

InChI Key

WWNUCVSRRUDYPP-UHFFFAOYSA-N

Smiles

CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1

InChI

InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)

Property Name	Value
Molecular Formula	C15H21N3O2S
Molecular Weight	307.42
AlogP	2.39
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	50.38
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H21N3O2S

Molecular Weight

307.42

AlogP

2.39

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

50.38

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

21.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Giardia intestinalis	-	29-65	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Giardia intestinalis

29-65

Resources	Reference
ChEBI	135309
ChEMBL	CHEMBL3707307
DrugBank	DB13623
DrugCentral	4079
FDA SRS	0F8K1X115C
SureChEMBL	SCHEMBL698567
ZINC	ZINC000023139484

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

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

FABOMOTIZOLE

Structure

Physicochemical Descriptors

Pharmacology

Cross References