EcoDrugPlus


Trade Names	SOLOSEC
Synonyms	Deprozol Flagentyl NSC-759812 Ornidazole metabolite m4 PM-185184 RP 14539 RP-14539 SYM-1219 Sabima Secnidal Secnidazole Secnidazole anhydrous Secnol Solosec
Status
Molecule Category	Free-form
ATC	P01AB07
UNII	R3459K699K
EPA CompTox	DTXSID3045934


InChI Key	KPQZUUQMTUIKBP-UHFFFAOYSA-N
Smiles	Cc1ncc([N+](=O)[O-])n1CC(C)O
InChI	InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3

Property Name	Value
Molecular Formula	C7H11N3O3
Molecular Weight	185.18
AlogP	0.48
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	81.19
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	13.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	FDA

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	92.29-132.9

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	92.29-132.9
Trichomonas vaginalis	-	810	-	-	-

Resources	Reference
ChEBI	94433
ChEMBL	CHEMBL498847
DrugBank	DB12834
DrugCentral	2427
FDA SRS	R3459K699K
PubChem	71815
SureChEMBL	SCHEMBL363924

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

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