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Compound Detail

CHEMBL3763553

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O[C@@H]1[C@H]2[C@H](O)CCCN2C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763553
Phase Preclinical
Structure Type MOL
InChI Key FXUAIOOAOAVCGD-CWKFCGSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
-1.45
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H15NO3
MW 173.21
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.57

Literature References

PubMed DOI Target Context # Activities
26865176 10.1016/j.bmcl.2015.09.010 KB 1
26865176 10.1016/j.bmcl.2015.09.010 NON-PROTEIN TARGET 1
26865176 10.1016/j.bmcl.2015.09.010 MDA-MB-231 1
26865176 10.1016/j.bmcl.2015.09.010 MCF7 1
26865176 10.1016/j.bmcl.2015.09.010 A549 1

Data from ChEMBL 36 via Core Engine