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Compound Detail

CHEMBL2011609

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OC[C@H]1[C@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011609
Phase Preclinical
Structure Type MOL
InChI Key QZLWXAZGLFTHHX-YOHGGFGZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.98
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.49
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 C22H37NO3
MW 363.54
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 0.64

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24900342 10.1021/ml200050s Ceramide glucosyltransferase 2
24900342 10.1021/ml200050s Unchecked 1
24900342 10.1021/ml200050s Beta-glucosidase 1

Data from ChEMBL 36 via Core Engine