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Compound Detail

CHEMBL265170

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O=C(Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2OP(=O)(O)O)c1=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL265170
Phase Preclinical
Structure Type MOL
InChI Key QTOAFQFXYVDFKV-DTZQCDIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

682.2
MW (Da)
-1.03
ALogP
15
HBA
7
HBD
317.1
PSA (Ų)
0.10
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 C17H22N2O19P4
MW 682.25
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness 0.67

Literature References

PubMed DOI Target Context # Activities
17125260 10.1021/jm060848j P2Y purinoceptor 6 3
17125260 10.1021/jm060848j P2Y purinoceptor 2 3
17125260 10.1021/jm060848j P2Y purinoceptor 4 2

Data from ChEMBL 36 via Core Engine