EcoDrugPlus


Synonyms	Albitiazolium bromide SAR-97276A SAR97276A Sar97276a
Status
Molecule Category	Salt-form
UNII	3AC0AJ4ILP
EPA CompTox	DTXSID60185968

Synonyms

Albitiazolium bromide

SAR-97276A

SAR97276A

Sar97276a

Status

Molecule Category

Salt-form

UNII

3AC0AJ4ILP

EPA CompTox

DTXSID60185968


InChI Key	AFJCGBHHSKAACR-UHFFFAOYSA-L
Smiles	Cc1c(CCO)sc[n+]1CCCCCCCCCCCC[n+]1csc(CCO)c1C.[Br-].[Br-]
InChI	InChI=1S/C24H42N2O2S2.2BrH/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2;;/h19-20,27-28H,3-18H2,1-2H3;2*1H/q+2;;/p-2

InChI Key

AFJCGBHHSKAACR-UHFFFAOYSA-L

Smiles

Cc1c(CCO)sc[n+]1CCCCCCCCCCCC[n+]1csc(CCO)c1C.[Br-].[Br-]

InChI

InChI=1S/C24H42N2O2S2.2BrH/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2;;/h19-20,27-28H,3-18H2,1-2H3;2*1H/q+2;;/p-2

Property Name	Value
Molecular Formula	C24H42Br2N2O2S2
Molecular Weight	614.55
AlogP	4.67
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	17.0
Polar Surface Area	48.22
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C24H42Br2N2O2S2

Molecular Weight

614.55

AlogP

4.67

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

17.0

Polar Surface Area

48.22

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

30.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Plasmodium falciparum	-	2.2-2.25	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Plasmodium falciparum

2.2-2.25

Resources	Reference
ChEMBL	CHEMBL520613
FDA SRS	3AC0AJ4ILP
PubChem	11377022
SureChEMBL	SCHEMBL2017697

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...

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Last update: Monday, 3 November 2025

ALBITIAZOLIUM BROMIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References