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Compound Detail

CHEMBL508122

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O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3OC(O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL508122
Phase Preclinical
Structure Type MOL
InChI Key RZHCKCCBWWACOW-BHARQNLVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

726.3
MW (Da)
-4.56
ALogP
20
HBA
11
HBD
390.1
PSA (Ų)
0.09
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H26N2O23P4
MW 726.26
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness 1.16

Literature References

PubMed DOI Target Context # Activities
18514530 10.1016/j.bmc.2008.05.013 P2Y purinoceptor 2 1
18514530 10.1016/j.bmc.2008.05.013 P2Y purinoceptor 4 1
18514530 10.1016/j.bmc.2008.05.013 P2Y purinoceptor 6 1

Data from ChEMBL 36 via Core Engine