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Compound Detail

CHEMBL3960697

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CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCC(=O)O)no2)cc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3960697
Phase Preclinical
Structure Type MOL
InChI Key WNDDDFYFTSGSEC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
4.11
ALogP
7
HBA
2
HBD
121.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4O4
MW 432.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.05

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36758307 10.1016/j.ejmech.2023.115182 Sphingosine 1-phosphate receptor 1 1

Data from ChEMBL 36 via Core Engine