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Compound Detail

CHEMBL3349690

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O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H]1OP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3349690
Phase Preclinical
Structure Type MOL
InChI Key MRVYFOANPDTYBY-CTBIGQHSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.1
MW (Da)
-3.37
ALogP
10
HBA
10
HBD
307.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H16O18P4
MW 500.07
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
12941316 10.1016/s0960-894x(03)00629-2 Inositol-trisphosphate 3-kinase A 1

Data from ChEMBL 36 via Core Engine