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Compound Detail

CHEMBL1092191

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C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1092191
Phase Preclinical
Structure Type MOL
InChI Key JMQISUVMGYJTBB-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
3.44
ALogP
6
HBA
5
HBD
168.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N2O8P
MW 514.47
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
20304639 10.1016/j.bmcl.2010.02.098 Sphingosine 1-phosphate receptor 1 1
20304639 10.1016/j.bmcl.2010.02.098 Sphingosine 1-phosphate receptor 3 1

Data from ChEMBL 36 via Core Engine