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Compound Detail

CHEMBL9314

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O=c1ccn([C@H]2[C@H](O)[C@H](O)[C@@]3(COP(=O)(O)OP(=O)(O)O)C[C@H]23)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL9314
Phase Preclinical
Structure Type MOL
InChI Key BFWUJFNKDUGYMX-OHVCGCLXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

414.2
MW (Da)
-1.95
ALogP
9
HBA
6
HBD
208.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N2O11P2
MW 414.20
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.31

Literature References

PubMed DOI Target Context # Activities
16366591 10.1021/jm050911p P2Y purinoceptor 6 1
19902968 10.1021/jm901432g P2Y purinoceptor 14 1
19902968 10.1021/jm901432g P2Y purinoceptor 6 1
20446735 10.1021/jm100287t P2Y purinoceptor 6 1

Data from ChEMBL 36 via Core Engine