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Compound Detail

CHEMBL3818066

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CCCCCCCCO[C@@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3818066
Phase Preclinical
Structure Type MOL
InChI Key PDJNNZIGFYBEER-RKQHYHRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
0.13
ALogP
6
HBA
4
HBD
105.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H29NO5
MW 291.39
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 1.59

Literature References

PubMed DOI Target Context # Activities
27316541 10.1016/j.bmc.2016.05.031 RAC-alpha serine/threonine-protein kinase 3
27316541 10.1016/j.bmc.2016.05.031 NON-PROTEIN TARGET 3
27316541 10.1016/j.bmc.2016.05.031 TPC1 1

Data from ChEMBL 36 via Core Engine