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Compound Detail

CHEMBL5185672

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CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCCCC4)cc3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5185672
Phase Preclinical
Structure Type MOL
InChI Key MOELSZKVASBEJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

602.8
MW (Da)
7.62
ALogP
5
HBA
1
HBD
74.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H43FN4O4
MW 602.75
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -1.27

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