EcoDrugPlus


Synonyms	Benzalin Mogadon N05CD02 NSC-58775 Nitrados Nitrazepam Nitrazepamum RO 4-5360 RO 5-3059 RO-4-5360 RO-45360 RO-5-3059 RO-53059 Remnos Somnite
Status
Molecule Category	Free-form
ATC	N05CD02
UNII	9CLV70W7HS
EPA CompTox	DTXSID5023372


InChI Key	KJONHKAYOJNZEC-UHFFFAOYSA-N
Smiles	O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1
InChI	InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)

Property Name	Value
Molecular Formula	C15H11N3O3
Molecular Weight	281.27
AlogP	2.38
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	84.6
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	21.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor	-	38	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	38	-	-	-

Resources	Reference
ChEBI	7581
ChEMBL	CHEMBL13209
DrugBank	DB01595
DrugCentral	1945
FDA SRS	9CLV70W7HS
Human Metabolome Database	HMDB0015534
KEGG	C07487
PharmGKB	PA10242
PubChem	4506
SureChEMBL	SCHEMBL35202
ZINC	ZINC000004311748

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

NITRAZEPAM

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Physicochemical Descriptors

Pharmacology

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