EcoDrugPlus


Synonyms	NSC-759834 Pyronaridine phosphate Pyronaridine tetraphosphate
Status
Molecule Category	Salt-form
UNII	2T289F9ACO
Parent Compound:	PYRONARIDINE

Synonyms

NSC-759834

Pyronaridine phosphate

Pyronaridine tetraphosphate

Status

Molecule Category

Salt-form

UNII

2T289F9ACO

Parent Compound:

PYRONARIDINE


InChI Key	YKUQEKXHQFYULM-UHFFFAOYSA-N
Smiles	COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChI	InChI=1S/C29H32ClN5O2.4H3O4P/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35;41-5(2,3)4/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32);4(H3,1,2,3,4)

InChI Key

YKUQEKXHQFYULM-UHFFFAOYSA-N

Smiles

COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O

InChI

InChI=1S/C29H32ClN5O2.4H3O4P/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35;4*1-5(2,3)4/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32);4*(H3,1,2,3,4)

Property Name	Value
Molecular Formula	C29H44ClN5O18P4
Molecular Weight	910.04
AlogP	6.09
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	73.75
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	37.0

Property Name

Value

Molecular Formula

C29H44ClN5O18P4

Molecular Weight

910.04

AlogP

6.09

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

73.75

Molecular species

BASE

Aromatic Rings

4.0

Heavy Atoms

37.0

Resources	Reference
ChEMBL	CHEMBL2095224
FDA SRS	2T289F9ACO
PubChem	156867
SureChEMBL	SCHEMBL6072576

Resources

Reference

ChEMBL

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...

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Last update: Monday, 3 November 2025

PYRONARIDINE TETRAPHOSPHATE

Structure

Physicochemical Descriptors

Cross References