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Compound Detail

CHEMBL4284144

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CCC/N=C1\S/C(=C\c2ccc(C(=O)O)cc2)C(=O)N1c1ccccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4284144
Phase Preclinical
Structure Type MOL
InChI Key LXNIUEMUEWFLDR-WJACMBERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
4.58
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O3S
MW 380.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
30143424 10.1016/j.bmcl.2018.07.044 No relevant target 2
30143424 10.1016/j.bmcl.2018.07.044 Sphingosine 1-phosphate receptor 1 1

Data from ChEMBL 36 via Core Engine