EcoDrugPlus


Synonyms	Gusperimus
Status
Molecule Category	Free-form
ATC	L04AA19
UNII	UJ0ZJ76DO9

Synonyms

Gusperimus

Status

Molecule Category

Free-form

ATC

L04AA19

UNII

UJ0ZJ76DO9


InChI Key	IDINUJSAMVOPCM-UHFFFAOYSA-N
Smiles	N=C(N)NCCCCCCC(=O)NC(O)C(=O)NCCCCNCCCN
InChI	InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)

InChI Key

IDINUJSAMVOPCM-UHFFFAOYSA-N

Smiles

N=C(N)NCCCCCCC(=O)NC(O)C(=O)NCCCCNCCCN

InChI

InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)

Property Name	Value
Molecular Formula	C17H37N7O3
Molecular Weight	387.53
AlogP	-1.31
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	8.0
Number of Rotational Bond	17.0
Polar Surface Area	178.38
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C17H37N7O3

Molecular Weight

387.53

AlogP

-1.31

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

8.0

Number of Rotational Bond

17.0

Polar Surface Area

178.38

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

27.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	81	-
Plasmodium falciparum	-	148	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

Plasmodium falciparum

148

Resources	Reference
ChEBI	135609
ChEMBL	CHEMBL406117
DrugBank	DB12692
DrugCentral	1347
FDA SRS	UJ0ZJ76DO9
PubChem	55362
SureChEMBL	SCHEMBL28026

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

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...

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

Last update: Monday, 3 November 2025

GUSPERIMUS

Structure

Physicochemical Descriptors

Pharmacology

Cross References