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Compound Detail

CHEMBL350677

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CN(C)c1ccc(C(O)(P(=O)(O)O)P(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL350677
Phase Preclinical
Structure Type MOL
InChI Key HFICPJYNTPTHQB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.2
MW (Da)
0.21
ALogP
4
HBA
5
HBD
138.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15NO7P2
MW 311.17
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.38

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81212-9 Inositol monophosphatase 1 1

Data from ChEMBL 36 via Core Engine