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Compound Detail

CHEMBL4749473

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Cc1cc(C)c(Nc2cccc3c(C)n[nH]c(=O)c23)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749473
Phase Preclinical
Structure Type MOL
InChI Key XJCLYGZLMYHFCN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
3.90
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O
MW 293.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
33738061 10.1021/acsmedchemlett.0c00631 Sphingosine 1-phosphate receptor 1 1
33738061 10.1021/acsmedchemlett.0c00631 Sphingosine 1-phosphate receptor 3 1
33738061 10.1021/acsmedchemlett.0c00631 Sphingosine 1-phosphate receptor 5 1

Data from ChEMBL 36 via Core Engine