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Compound Detail

CHEMBL3350649

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Cc1cn([C@H]2C[C@H](N)[C@@H](COCP(=O)([O-])[O-])O2)c(=O)[nH]c1=O.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350649
Phase Preclinical
Structure Type MOL
InChI Key SBCGGBAGOKZEDI-CVTHISEESA-L
Parent Compound CHEMBL3558666
Active Moiety CHEMBL3558666
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.2
MW (Da)
-1.39
ALogP
7
HBA
4
HBD
156.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N3Na2O7P
MW 379.22
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.63

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