Compound Detail

CHEMBL267803

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Nc1nc(O)c2ncn(CCCCCP(=O)(O)O)c2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL267803
Phase	Preclinical
Structure Type	MOL
InChI Key	ZQMIYPAADORARG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

301.2

MW (Da)

0.46

ALogP

HBA

HBD

147.4

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 6 meas. best 6.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Purine nucleoside phosphorylase CHEMBL2395	Ki	6.77	6.77	170.0	1
Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360	Ki	6.3	6.3	500.0	1
Unchecked CHEMBL612545	Ki	5.7	5.46	2000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Purine nucleoside phosphorylase	Ki	=	170.0	nM	6.77	Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (P...	8057293
Hypoxanthine-guanine phosphoribosyltransferase	Ki	=	500.0	nM	6.3	Inhibition of human HGPRT	22178188
Unchecked	Ki	=	2000.0	nM	5.7	Inhibition of Plasmodium falciparum HGXPRT	22178188
Unchecked	Ki	=	6000.0	nM	5.22	Inhibition of Plasmodium vivax HGPRT	22178188

PubMed	DOI	Target Context	# Activities
22178188	10.1016/j.bmc.2011.11.034	Unchecked	3
8057293	10.1021/jm00041a027	Purine nucleoside phosphorylase	2
22178188	10.1016/j.bmc.2011.11.034	Hypoxanthine-guanine phosphoribosyltransferase	2
8478902	10.1021/jm00060a010	Purine nucleoside phosphorylase	1
8164252	10.1021/jm00034a008	Purine nucleoside phosphorylase	1

Data from ChEMBL 36 via Core Engine