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Compound Detail

CHEMBL5170245

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CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(c4cccc(OC)c4)CC3)cc(Oc3ccc(F)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5170245
Phase Preclinical
Structure Type MOL
InChI Key XSERJKURNUKUNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

570.6
MW (Da)
6.13
ALogP
6
HBA
2
HBD
92.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31FN4O5
MW 570.62
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
36269639 10.1021/acs.jmedchem.2c00958 Sphingosine 1-phosphate receptor 2 1

Data from ChEMBL 36 via Core Engine