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Compound Detail

CHEMBL3088202

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CCCc1cc(C(=O)N(c2ccccc2)C2CCCCC2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3088202
Phase Preclinical
Structure Type MOL
InChI Key RJOZRWRAHGAJGQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
4.61
ALogP
3
HBA
0
HBD
46.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O2
MW 312.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.43

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