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Compound Detail

CHEMBL5201537

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CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5201537
Phase Preclinical
Structure Type MOL
InChI Key CFYSKSJXVBAORY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

618.7
MW (Da)
5.62
ALogP
6
HBA
2
HBD
117.3
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 C32H31FN4O6S
MW 618.69
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -1.64

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