EcoDrugPlus


Synonyms	Pafuramidine
Status
Molecule Category	Free-form
UNII	H1VG379J2X

Synonyms

Pafuramidine

Status

Molecule Category

Free-form

UNII

H1VG379J2X


InChI Key	UKOQVLAXCBRRGH-UHFFFAOYSA-N
Smiles	CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1
InChI	InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)

InChI Key

UKOQVLAXCBRRGH-UHFFFAOYSA-N

Smiles

CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1

InChI

InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)

Property Name	Value
Molecular Formula	C20H20N4O3
Molecular Weight	364.41
AlogP	3.57
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	103.36
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C20H20N4O3

Molecular Weight

364.41

AlogP

3.57

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

103.36

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

27.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Plasmodium falciparum	-	15.5	-	-	-
Trypanosoma brucei rhodesiense	-	4.5	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Plasmodium falciparum

15.5

Trypanosoma brucei rhodesiense

4.5

Resources	Reference
ChEMBL	CHEMBL319669
DrugBank	DB06532
FDA SRS	H1VG379J2X
Guide to Pharmacology	10842
PubChem	459963
SureChEMBL	SCHEMBL5143735
ZINC	ZINC000006482036

Resources

Reference

ChEMBL

CHEMBL319669

DrugBank

DB06532

FDA SRS

H1VG379J2X

Guide to Pharmacology

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

PAFURAMIDINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References