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Compound Detail

CHEMBL3740355

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CCCCCCCCOc1ccc([C@@H]2CC[C@](N)(CO)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740355
Phase Preclinical
Structure Type MOL
InChI Key LJJMWGOYLNFOEF-UYAOXDASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

319.5
MW (Da)
4.38
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H33NO2
MW 319.49
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.52

Literature References

PubMed DOI Target Context # Activities
26509640 10.1021/acs.jmedchem.5b00928 Unchecked 2
26509640 10.1021/acs.jmedchem.5b00928 Sphingosine 1-phosphate receptor 1 1
26509640 10.1021/acs.jmedchem.5b00928 Sphingosine 1-phosphate receptor 3 1

Data from ChEMBL 36 via Core Engine