EcoDrugPlus


Synonyms	NSC-380540 PD 126675 PD-126675 Pimonidazole RO 03-8799 RO-03-8799 RO-038799
Status
Molecule Category	Free-form
UNII	46JO4D76R2


InChI Key	WVWOOAYQYLJEFD-UHFFFAOYSA-N
Smiles	O=[N+]([O-])c1nccn1CC(O)CN1CCCCC1
InChI	InChI=1S/C11H18N4O3/c16-10(8-13-5-2-1-3-6-13)9-14-7-4-12-11(14)15(17)18/h4,7,10,16H,1-3,5-6,8-9H2

Property Name	Value
Molecular Formula	C11H18N4O3
Molecular Weight	254.29
AlogP	0.64
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	84.43
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	18.0

Resources	Reference
ChEMBL	CHEMBL58752
DrugBank	DB12485
FDA SRS	46JO4D76R2
PubChem	50981
SureChEMBL	SCHEMBL51977

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

PIMONIDAZOLE

Structure

Physicochemical Descriptors

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