EcoDrugPlus


Synonyms	Aminoguanidine Pimagedine
Molecule Category	Free-form
UNII	SCQ4EZQ113
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Aminoguanidine

Pimagedine

Molecule Category

Free-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	HAMNKKUPIHEESI-UHFFFAOYSA-N
Smiles	NNC(=N)N
InChI	InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)

InChI Key

HAMNKKUPIHEESI-UHFFFAOYSA-N

Smiles

NNC(=N)N

InChI

InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)

Property Name	Value
Molecular Formula	CH6N4
Molecular Weight	74.09
AlogP	-1.48
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	1.0
Polar Surface Area	87.92
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

CH6N4

Molecular Weight

74.09

AlogP

-1.48

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

1.0

Polar Surface Area

87.92

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

5.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	500000	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Bos taurus

500000

Resources	Reference
ChEMBL	CHEMBL225304
FDA SRS	SCQ4EZQ113
PDB	AGU
SureChEMBL	SCHEMBL15307

Resources

Reference

ChEMBL

FDA SRS

PDB

SureChEMBL

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

PIMAGEDINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References