Compound Detail

CHEMBL311300

PELDESINE

🧪 Phase II

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🧪 Phase II

Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL311300
Name	PELDESINE
Phase	Phase II
Structure Type	MOL
InChI Key	DOHVAKFYAHLCJP-UHFFFAOYSA-N

Known Names

BCX-34 Peldesina Peldesine

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

241.2

MW (Da)

0.82

ALogP

HBA

HBD

100.5

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Year

1995

Extended Properties

Molecular Formula	C12H11N5O
MW	241.25
Aromatic Rings	3
Heavy Atoms	18
NP-Likeness	-0.28

Indications

HIV Infections

Activity Summary

IC50 8 meas. best 7.6

Ki 3 meas. best 8.51

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Purine nucleoside phosphorylase CHEMBL2935	Ki	8.51	8.19	3.1	2
Purine nucleoside phosphorylase CHEMBL4338	Ki	7.87	7.87	13.5	1
Purine nucleoside phosphorylase CHEMBL2395	IC50	7.6	7.6	25.0	1
Purine nucleoside phosphorylase CHEMBL2935	IC50	7.6	7.2967	25.0	3
Purine nucleoside phosphorylase CHEMBL4338	IC50	7.52	7.2033	30.0	3
Unchecked CHEMBL612545	IC50	6.1	6.1	800.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Purine nucleoside phosphorylase	Ki	=	3.1	nM	8.51	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us...	10395483
Purine nucleoside phosphorylase	Ki	=	13.5	nM	7.87	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us...	10395483
Purine nucleoside phosphorylase	Ki	=	13.5	nM	7.87	Inhibition of human PNP	30627387
Purine nucleoside phosphorylase	IC50	=	25.0	nM	7.6	Inhibition of purine nucleoside phosphorylase against the enzyme from calf splee...	8421291
Purine nucleoside phosphorylase	IC50	=	25.0	nM	7.6	Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (P...	8057293
Purine nucleoside phosphorylase	IC50	=	27.0	nM	7.57	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us...	10395483
Purine nucleoside phosphorylase	IC50	=	30.0	nM	7.52	Inhibition of PNP (unknown origin)	38701712
Purine nucleoside phosphorylase	IC50	=	41.0	nM	7.39	Inhibition of PNP (unknown origin) by fluorescent based microplate reader analys...	36610250
Purine nucleoside phosphorylase	IC50	=	190.0	nM	6.72	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme f...	8421291
Purine nucleoside phosphorylase	IC50	=	200.0	nM	6.7	Inhibition of human purine nucleoside phosphorylase	20129792
Unchecked	IC50	=	800.0	nM	6.1	Inhibition of Schistosoma mansoni purine nucleoside phosphorylase	20129792

Literature References

PubMed	DOI	Target Context	# Activities
10395483	10.1021/jm990037y	Purine nucleoside phosphorylase	5
8421291	10.1021/jm00053a008	Purine nucleoside phosphorylase	3
8057293	10.1021/jm00041a027	Purine nucleoside phosphorylase	2
20129792	10.1016/j.bmc.2010.01.022	Unchecked	2
-	10.6019/CHEMBL4513161	Pseudomonas aeruginosa	2
38701712	10.1016/j.ejmech.2024.116437	Purine nucleoside phosphorylase	1
36610250	10.1016/j.ejmech.2023.115087	Purine nucleoside phosphorylase	1
-	10.6019/CHEMBL4513161	HEK293	1
-	10.6019/CHEMBL4513161	Erythrocyte	1
-	10.6019/CHEMBL4513161	Staphylococcus aureus	1
-	10.6019/CHEMBL4513161	Acinetobacter baumannii	1
-	10.6019/CHEMBL4513161	Klebsiella pneumoniae	1
-	10.6019/CHEMBL4513161	Escherichia coli	1
-	10.6019/CHEMBL4513161	Cryptococcus neoformans	1
-	10.6019/CHEMBL4513161	Candida albicans	1
30627387	10.1039/C8MD00372F	Purine nucleoside phosphorylase	1
20129792	10.1016/j.bmc.2010.01.022	Purine nucleoside phosphorylase	1

Data from ChEMBL 36 via Core Engine