EcoDrugPlus


Synonyms	BTZ-10526043 Btz-043 Bzt043
Status
Molecule Category	Free-form
UNII	G55ZH52P57
EPA CompTox	DTXSID80151286


InChI Key	GTUIRORNXIOHQR-VIFPVBQESA-N
Smiles	C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
InChI	InChI=1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1

Property Name	Value
Molecular Formula	C17H16F3N3O5S
Molecular Weight	431.39
AlogP	3.32
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	2.0
Polar Surface Area	94.8
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	29.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mycobacterium smegmatis	-	5	-	-	-

Resources	Reference
CAS NUMBER	1161233-85-7
ChEMBL	CHEMBL1822872
FDA SRS	G55ZH52P57
PubChem	42609849
SureChEMBL	SCHEMBL2488829
ZINC	ZINC000043208590

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 27^th July 2026

BTZ-043

Structure

Physicochemical Descriptors

Pharmacology

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