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Compound Detail

CHEMBL1230331

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O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1230331
Phase Preclinical
Structure Type MOL
InChI Key CKTAUHRBDDXUDJ-XVFCMESISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

340.2
MW (Da)
-1.37
ALogP
8
HBA
5
HBD
154.2
PSA (Ų)
0.33
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 C9H13N2O8PS
MW 340.25
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.28

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