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Compound Detail

CHEMBL1989169

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O=C(c1coc(C2CC2)n1)N(C1CCCCC1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1989169
Phase Preclinical
Structure Type MOL
InChI Key XXKUOUAAFYMOTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
4.66
ALogP
3
HBA
0
HBD
46.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N2O2
MW 316.45
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
24135724 10.1016/j.bmcl.2013.09.075 Sphingosine 1-phosphate receptor 1 1
24135724 10.1016/j.bmcl.2013.09.075 Sphingosine 1-phosphate receptor 3 1

Data from ChEMBL 36 via Core Engine