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Compound Detail

CHEMBL227478

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COc1cc(C(=O)c2sc3cccc(C)c3c2N)cc(O)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227478
Phase Preclinical
Structure Type MOL
InChI Key MWUUKUOCSZLEFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
3.75
ALogP
6
HBA
2
HBD
81.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO4S
MW 343.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
17419607 10.1021/jm070050f NON-PROTEIN TARGET 2
17419607 10.1021/jm070050f FM3A 1
17419607 10.1021/jm070050f CCRF-CEM 1

Data from ChEMBL 36 via Core Engine