EcoDrugPlus


Synonyms	Acipimox NSC-759818 Olbetam
Status
Molecule Category	Free-form
ATC	C10AD06
UNII	K9AY9IR2SD
EPA CompTox	DTXSID2046202

Synonyms

Acipimox

NSC-759818

Olbetam

Status

Molecule Category

Free-form

ATC

C10AD06

UNII

K9AY9IR2SD

EPA CompTox

DTXSID2046202


InChI Key	DJQOOSBJCLSSEY-UHFFFAOYSA-N
Smiles	Cc1cnc(C(=O)O)c[n+]1[O-]
InChI	InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)

InChI Key

DJQOOSBJCLSSEY-UHFFFAOYSA-N

Smiles

Cc1cnc(C(=O)O)c[n+]1[O-]

InChI

InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)

Property Name	Value
Molecular Formula	C6H6N2O3
Molecular Weight	154.12
AlogP	-0.28
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	77.13
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H6N2O3

Molecular Weight

154.12

AlogP

-0.28

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

77.13

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

11.0

Resources	Reference
ChEBI	94688
ChEMBL	CHEMBL345714
DrugBank	DB09055
DrugCentral	76
FDA SRS	K9AY9IR2SD
Guide to Pharmacology	1596
SureChEMBL	SCHEMBL48922
ZINC	ZINC000001481960

Resources

Reference

ChEBI

94688

ChEMBL

CHEMBL345714

DrugBank

DB09055

DrugCentral

FDA SRS

K9AY9IR2SD

Guide to Pharmacology

1596

SureChEMBL

SCHEMBL48922

ZINC

ZINC000001481960

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

ACIPIMOX

Structure

Physicochemical Descriptors

Cross References