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Compound Detail

CHEMBL2448399

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BP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL2448399
Phase Preclinical
Structure Type MOL
InChI Key WCWFAMSTHLTRGT-YOLSTXSHSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
13
Publications
0
Known Names

Molecular Properties

501.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H19BN5O11P3
MW 501.03

Pharmacokinetic Data

Parameter Value Units Species
T1/2 19.0 hr -
T1/2 19.0 hr -

Literature References

PubMed DOI Target Context # Activities
18760862 10.1016/j.ejmech.2008.07.015 Ectonucleoside triphosphate diphosphohydrolase 1 4
18760862 10.1016/j.ejmech.2008.07.015 Ectonucleoside triphosphate diphosphohydrolase 2 4
18760862 10.1016/j.ejmech.2008.07.015 Ectonucleoside triphosphate diphosphohydrolase 3 4
18760862 10.1016/j.ejmech.2008.07.015 Ectonucleoside triphosphate diphosphohydrolase 8 4
18760862 10.1016/j.ejmech.2008.07.015 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 4
18760862 10.1016/j.ejmech.2008.07.015 Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 4
18760862 10.1016/j.ejmech.2008.07.015 P2Y purinoceptor 2 4
18760862 10.1016/j.ejmech.2008.07.015 P2Y purinoceptor 4 4
18760862 10.1016/j.ejmech.2008.07.015 P2Y purinoceptor 1 4
18760862 10.1016/j.ejmech.2008.07.015 P2Y purinoceptor 6 3
20337495 10.1021/jm100030u No relevant target 3
18760862 10.1016/j.ejmech.2008.07.015 ADMET 2
18760862 10.1016/j.ejmech.2008.07.015 No relevant target 1

Data from ChEMBL 36 via Core Engine