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Compound Detail

CHEMBL228167

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COc1ccc2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228167
Phase Preclinical
Structure Type MOL
InChI Key UDSVETRXGLLTFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.75
ALogP
7
HBA
1
HBD
80.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO5S
MW 373.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.64

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
20579891 10.1016/j.bmc.2010.05.068 L1210 1
20579891 10.1016/j.bmc.2010.05.068 FM3A 1
20579891 10.1016/j.bmc.2010.05.068 NON-PROTEIN TARGET 1
20579891 10.1016/j.bmc.2010.05.068 CCRF-CEM 1
20579891 10.1016/j.bmc.2010.05.068 HeLa 1

Data from ChEMBL 36 via Core Engine