GIMERACIL

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Search structure


Synonyms	Gimeracil Gimestat
Status
Molecule Category	Free-form
UNII	UA8SE1325T
EPA CompTox	DTXSID8046799

Structure


InChI Key	ZPLQIPFOCGIIHV-UHFFFAOYSA-N
Smiles	Oc1cc(O)c(Cl)cn1
InChI	InChI=1S/C5H4ClNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C5H4ClNO2
Molecular Weight	145.55
AlogP	1.15
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Polar Surface Area	53.35
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	9.0

Pharmacology

Mechanism of Action	Action	Reference
Dihydropyrimidine dehydrogenase inhibitor	INHIBITOR	PubMed EMA

Target Conservation


Protein: Dihydropyrimidine dehydrogenase Description: Dihydropyrimidine dehydrogenase [NADP(+)] Organism : Homo sapiens Q12882 ENSG00000188641

Cross References

Resources	Reference
ChEBI	31652
ChEMBL	CHEMBL1730601
DrugBank	DB09257
DrugCentral	1293
FDA SRS	UA8SE1325T
PubChem	54679224
SureChEMBL	SCHEMBL124438
ZINC	ZINC000013831809

CONTENTS

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...

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Last update: Monday, 3 November 2025