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Compound Detail

CHEMBL5197308

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CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)OC)cc3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197308
Phase Preclinical
Structure Type MOL
InChI Key HXFQNSKRLWNDBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

549.6
MW (Da)
6.78
ALogP
6
HBA
1
HBD
80.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36FN3O5
MW 549.64
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.13

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