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Compound Detail

CHEMBL1392307

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O=C(NC1CCCCC1)c1cc(C2CC2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1392307
Phase Preclinical
Structure Type MOL
InChI Key FRCIYEULNJCLEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
2.61
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N2O2
MW 234.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.57

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