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Compound Detail

CHEMBL2251822

PYRIDIN-3-YL-PROPYL-DIPHOSPHATE
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O=P(O)(O)OP(=O)(O)OCCCc1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2251822
Name PYRIDIN-3-YL-PROPYL-DIPHOSPHATE
Phase Preclinical
Structure Type MOL
InChI Key LJAGTTOZXGTTTF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.1
MW (Da)
1.24
ALogP
5
HBA
3
HBD
126.2
PSA (Ų)
0.51
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 C8H13NO7P2
MW 297.14
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.49

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20426416 10.1021/ja909664j 4-hydroxy-3-methylbut-2-enyl diphosphate reductase 1

Data from ChEMBL 36 via Core Engine