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Compound Detail

CHEMBL5204712

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

Basic Information

ChEMBL ID CHEMBL5204712
Phase Preclinical
Structure Type MOL
InChI Key KKUGFMZPFWRTNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

575.0
MW (Da)
6.78
ALogP
5
HBA
2
HBD
83.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28ClFN4O4
MW 575.04
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.54

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