EcoDrugPlus


Synonyms	Guanidine
Status
Molecule Category	Free-form
UNII	JU58VJ6Y3B
EPA CompTox	DTXSID0023117

Synonyms

Guanidine

Status

Molecule Category

Free-form

UNII

JU58VJ6Y3B

EPA CompTox

DTXSID0023117


InChI Key	ZRALSGWEFCBTJO-UHFFFAOYSA-N
Smiles	N=C(N)N
InChI	InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)

InChI Key

ZRALSGWEFCBTJO-UHFFFAOYSA-N

Smiles

N=C(N)N

InChI

InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)

Property Name	Value
Molecular Formula	CH5N3
Molecular Weight	59.07
AlogP	-1.16
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	3.0
Polar Surface Area	75.89
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	4.0

Property Name

Value

Molecular Formula

CH5N3

Molecular Weight

59.07

AlogP

-1.16

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

3.0

Polar Surface Area

75.89

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

4.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	100.02-106.55

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides

100.02-106.55

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	100.02-106.55

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Cricetulus griseus

100.02-106.55

Resources	Reference
CAS NUMBER	113-00-8
ChEBI	42820
ChEMBL	CHEMBL821
DrugBank	DB00536
DrugCentral	1344
FDA SRS	JU58VJ6Y3B
Human Metabolome Database	HMDB0001842
Guide to Pharmacology	4783
PDB	GAI
PharmGKB	PA164781028
PubChem	3520
SureChEMBL	SCHEMBL2003
ZINC	ZINC000008101126

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0001842

Guide to Pharmacology

PDB

PharmGKB

PubChem

SureChEMBL

ZINC

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

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

GUANIDINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References