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Compound Detail

CHEMBL611086

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B[PH](O)(OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL611086
Phase Preclinical
Structure Type MOL
InChI Key VSKXDHLMCXTMHQ-VTHZCTBJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H19BN5O12P3
MW 505.02

Activity Summary

EC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P2Y purinoceptor 1
CHEMBL2497
EC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P2Y purinoceptor 1 EC50 = 200.0 nM 6.7 Concentration required for calcium mobilization at rat purinergic 2Y1 receptor e... 15317453

Literature References

PubMed DOI Target Context # Activities
15317453 10.1021/jm049771u P2Y purinoceptor 1 2

Data from ChEMBL 36 via Core Engine