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Compound Detail

CHEMBL1160802

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O=P(O)(O)OCC1CCC(COP(=O)(O)O)[C@H](COP(=O)(O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1160802
Phase Preclinical
Structure Type MOL
InChI Key MERVRBSSRJNNIC-HACHORDNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.2
MW (Da)
0.35
ALogP
6
HBA
6
HBD
200.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H21O12P3
MW 414.18
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 0.81

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
8411022 10.1021/jm00072a027 Unchecked 2
8411022 10.1021/jm00072a027 Inositol polyphosphate-5-phosphatase A 1
8411022 10.1021/jm00072a027 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine