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Compound Detail

CHEMBL1916406

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CCOC(=O)CCn1ncc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1916406
Phase Preclinical
Structure Type MOL
InChI Key HRWJVFMINRHRBP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.4
MW (Da)
5.74
ALogP
7
HBA
0
HBD
83.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F6N4O3
MW 498.38
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
21852130 10.1016/j.bmcl.2011.05.110 Sphingosine 1-phosphate receptor 1 1

Data from ChEMBL 36 via Core Engine