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Compound Detail

CHEMBL373609

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COc1ccc([C@H]2[C@@H]3CS(=O)(=O)c4ccc(OC)cc4C3=NN2C(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373609
Phase Preclinical
Structure Type MOL
InChI Key NEVSRAOSBWTHHU-XLIONFOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
2.41
ALogP
6
HBA
0
HBD
85.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O5S
MW 400.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
17361994 10.1021/jm061016o Jurkat 1

Data from ChEMBL 36 via Core Engine