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Compound Detail

CHEMBL1957445

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O=c1[nH]c(=O)n([C@@H]2O[C@H](CCP(=O)(O)O)[C@@H](O)[C@H]2O)cc1-c1cc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1957445
Phase Preclinical
Structure Type MOL
InChI Key BMSFTRGDDXQGKF-BNGXUDDSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
0.61
ALogP
8
HBA
5
HBD
162.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N2O8PS
MW 454.40
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.24

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