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Compound Detail

CHEMBL3350654

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CO[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COCP(=O)([O-])[O-].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350654
Phase Preclinical
Structure Type MOL
InChI Key DMXJLFWNAZWSHL-ZHQIPATHSA-L
Parent Compound CHEMBL3558662
Active Moiety CHEMBL3558662
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
-0.70
ALogP
7
HBA
3
HBD
140.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N2Na2O8P
MW 394.23
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.74

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1697345 10.1021/jm00171a023 MT4 2
1697345 10.1021/jm00171a023 Unchecked 1

Data from ChEMBL 36 via Core Engine