GUANINE

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Search structure


Synonyms	C.i. no. 75170 (guanine) Ci 75170 Guanine Valacyclovir hydrochloride, guanine- Valganciclovir hydrochloride impurity b
Status
Molecule Category	Free-form
UNII	5Z93L87A1R
EPA CompTox	DTXSID9052476

Structure


InChI Key	UYTPUPDQBNUYGX-UHFFFAOYSA-N
Smiles	Nc1nc2[nH]cnc2c(=O)[nH]1
InChI	InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C5H5N5O
Molecular Weight	151.13
AlogP	-0.77
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Polar Surface Area	100.45
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	11.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	88
Enzyme Transferase	-	-	120-160	-	48-80
Secreted protein	-	-	-	-	88

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bacillus subtilis	-	-	5-5	-	-
Bos taurus	-	-	120-160	-	-
Clostridioides difficile	-	-	2	-	-
Escherichia coli	-	-	-	-	48
Homo sapiens	-	-	-	-	80
Shigella dysenteriae	-	-	-	-	88

Cross References

Resources	Reference
CAS NUMBER	73-40-5
ChEBI	16235
ChEMBL	CHEMBL219568
DrugBank	DB02377
FDA SRS	5Z93L87A1R
Human Metabolome Database	HMDB0000132
Guide to Pharmacology	4556
KEGG	C00242
PDB	GUN
PubChem	135398634
SureChEMBL	SCHEMBL5259
ZINC	ZINC000000895129

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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Last update: Monday, 23^rd March 2026