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Compound Detail

CHEMBL1767420

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O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(SCc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1767420
Phase Preclinical
Structure Type MOL
InChI Key UAVDUKDOQBEXDY-NMFUWQPSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
0.26
ALogP
9
HBA
4
HBD
151.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N2O8PS
MW 430.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
21417463 10.1021/jm1016297 P2Y purinoceptor 2 1
21417463 10.1021/jm1016297 P2Y purinoceptor 4 1
21417463 10.1021/jm1016297 P2Y purinoceptor 6 1

Data from ChEMBL 36 via Core Engine