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Compound Detail

CHEMBL3350660

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CCOP(=O)(O)COC[C@@H]1CC[C@H](N2CCC(=N)NC2=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350660
Phase Preclinical
Structure Type MOL
InChI Key XOPUDGZOGGYMOI-GXSJLCMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.3
MW (Da)
1.08
ALogP
6
HBA
3
HBD
121.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H22N3O6P
MW 335.30
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.79

Literature References

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

Data from ChEMBL 36 via Core Engine