EcoDrugPlus


Synonyms	Macozinone PBTZ-169 PBTZ169
Status
Molecule Category	Free-form
UNII	A3M1353L40


InChI Key	BJDZBXGJNBMCAV-UHFFFAOYSA-N
Smiles	O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12
InChI	InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2

Property Name	Value
Molecular Formula	C20H23F3N4O3S
Molecular Weight	456.49
AlogP	4.29
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	4.0
Polar Surface Area	79.58
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	31.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	10-10	-	-	-
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	-	-	-	41-41.6

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	41-41.6
Mycobacterium tuberculosis	-	10-200	-	-	78

Resources	Reference
ChEMBL	CHEMBL3330226
DrugBank	DB14821
FDA SRS	A3M1353L40
PubChem	57331386
SureChEMBL	SCHEMBL6128230
ZINC	ZINC000141433347

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

MACOZINONE

Structure

Physicochemical Descriptors

Pharmacology

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