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Compound Detail

CHEMBL1951150

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O=C(O)C1CN(Cc2cc(-c3noc(-c4ccc(OCc5ccccc5)cc4)n3)cs2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1951150
Phase Preclinical
Structure Type MOL
InChI Key XSVCVRMNJKLDBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
4.56
ALogP
7
HBA
1
HBD
88.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O4S
MW 447.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
22264485 10.1016/j.bmcl.2011.12.019 Sphingosine 1-phosphate receptor 1 1
22264485 10.1016/j.bmcl.2011.12.019 Sphingosine 1-phosphate receptor 3 1
22264485 10.1016/j.bmcl.2011.12.019 Unchecked 1

Data from ChEMBL 36 via Core Engine