Compound Detail

CHEMBL1164953

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NC(=O)c1[nH]nc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1164953
Phase	Preclinical
Structure Type	MOL
InChI Key	CUHDHRMGDRLFLH-FLLFQEBCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

339.2

MW (Da)

-2.51

ALogP

HBA

HBD

208.4

PSA (Å²)

0.28

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Orotidine 5'-phosphate decarboxylase CHEMBL4858	Ki	8.3	8.3	5.0	1
Uridine 5'-monophosphate synthase CHEMBL5216	Ki	7.77	7.77	17.0	1
Unchecked CHEMBL612545	Ki	6.89	6.89	130.0	1
Orotidine 5'-phosphate decarboxylase CHEMBL5688	Ki	5.21	5.21	6200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Orotidine 5'-phosphate decarboxylase	Ki	=	5.0	nM	8.3	Inhibition of Saccharomyces cerevisiae uridine 5'-monophosphate synthase after o...	20452222
Uridine 5'-monophosphate synthase	Ki	=	17.0	nM	7.77	Inhibition of human uridine 5'-monophosphate synthase after overnight incubation...	20452222
Unchecked	Ki	=	130.0	nM	6.89	Inhibition of Helicobacter pylori uridine 5'-monophosphate synthase after overni...	20452222
Orotidine 5'-phosphate decarboxylase	Ki	=	6200.0	nM	5.21	Inhibition of Methanothermobacter thermautotrophicus uridine 5'-monophosphate sy...	20452222

PubMed	DOI	Target Context	# Activities
20452222	10.1016/j.bmc.2010.04.017	Orotidine 5'-phosphate decarboxylase	3
20452222	10.1016/j.bmc.2010.04.017	Unchecked	2
20452222	10.1016/j.bmc.2010.04.017	Uridine 5'-monophosphate synthase	1

Data from ChEMBL 36 via Core Engine