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Compound Detail

CHEMBL3581074

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CN1CC[C@@H](O)C[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581074
Phase Preclinical
Structure Type MOL
InChI Key NRRIAWBEPOWFOG-RITPCOANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
-0.47
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H13NO3
MW 159.18
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.73

Literature References

PubMed DOI Target Context # Activities
25466192 10.1016/j.bmcl.2014.11.015 BV-2 1
25466192 10.1016/j.bmcl.2014.11.015 ADMET 1

Data from ChEMBL 36 via Core Engine