EcoDrugPlus


Synonyms	4-imidazolecarboxylic acid
Status
Molecule Category	UNKNOWN
UNII	AE82Z8U4GJ
EPA CompTox	DTXSID00147949

Synonyms

4-imidazolecarboxylic acid

Status

Molecule Category

UNKNOWN

UNII

AE82Z8U4GJ

EPA CompTox

DTXSID00147949


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	NKWCGTOZTHZDHB-UHFFFAOYSA-N
Smiles	O=C(O)c1c[nH]cn1
InChI	InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)

InChI Key

NKWCGTOZTHZDHB-UHFFFAOYSA-N

Smiles

O=C(O)c1c[nH]cn1

InChI

InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)

Property Name	Value
Molecular Formula	C4H4N2O2
Molecular Weight	112.09
AlogP	0.11
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	65.98
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C4H4N2O2

Molecular Weight

112.09

AlogP

0.11

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

65.98

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

8.0

Resources	Reference
ChEMBL	CHEMBL1773943
DrugBank	DB16194
FDA SRS	AE82Z8U4GJ
SureChEMBL	SCHEMBL70915
ZINC	ZINC000004720641

Resources

Reference

ChEMBL

DrugBank

FDA SRS

SureChEMBL

ZINC


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

4-IMIDAZOLECARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References