EcoDrugPlus


Synonyms	Pradefovir mesilate Pradefovir mesylate
Status
Molecule Category	Salt-form
UNII	0D5204ZSIX
EPA CompTox	DTXSID00211558

Synonyms

Pradefovir mesilate

Pradefovir mesylate

Status

Molecule Category

Salt-form

UNII

0D5204ZSIX

EPA CompTox

DTXSID00211558


InChI Key	JXQUAHHUSMJUFV-HZPZRMRQSA-N
Smiles	CS(=O)(=O)O.Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1
InChI	InChI=1S/C17H19ClN5O4P.CH4O3S/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23;1-5(2,3)4/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21);1H3,(H,2,3,4)/t14-,28+;/m0./s1

InChI Key

JXQUAHHUSMJUFV-HZPZRMRQSA-N

Smiles

CS(=O)(=O)O.Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1

InChI

InChI=1S/C17H19ClN5O4P.CH4O3S/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23;1-5(2,3)4/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21);1H3,(H,2,3,4)/t14-,28+;/m0./s1

Property Name	Value
Molecular Formula	C18H23ClN5O7PS
Molecular Weight	519.9
AlogP	3.41
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	114.38
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C18H23ClN5O7PS

Molecular Weight

519.9

AlogP

3.41

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

114.38

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

28.0

Mechanism of Action	Action	Reference
DNA polymerase/reverse transcriptase inhibitor	INHIBITOR	PubMed

Mechanism of Action

Action

Reference

DNA polymerase/reverse transcriptase inhibitor

INHIBITOR

PubMed

Resources	Reference
ChEMBL	CHEMBL3989658
DrugBank	DB05478
FDA SRS	0D5204ZSIX
PubChem	9604653

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

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

PRADEFOVIR MESYLATE

Structure

Physicochemical Descriptors

Pharmacology

Cross References