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Compound Detail

CHEMBL1957446

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N.N.N[C@@H]1[C@H](O)[C@@H](CCP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL1957446
Phase Preclinical
Structure Type MOL
InChI Key FYTWZYSXLCUKFG-BAZBJWKESA-N
Parent Compound CHEMBL1963536
Active Moiety CHEMBL1963536
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.2
MW (Da)
-2.31
ALogP
7
HBA
5
HBD
167.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H22N5O7P
MW 355.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
22386981 10.1016/j.bmc.2012.02.012 P2Y purinoceptor 2 2
22386981 10.1016/j.bmc.2012.02.012 P2Y purinoceptor 6 1
22386981 10.1016/j.bmc.2012.02.012 P2Y purinoceptor 4 1

Data from ChEMBL 36 via Core Engine