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Compound Detail

CHEMBL594512

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COc1cccc2c1OC[C@H](Cc1ccc(O)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594512
Phase Preclinical
Structure Type MOL
InChI Key BIACPJLJNBZSGU-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
3.90
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.65
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 C24H25NO5S
MW 439.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
19932967 10.1016/j.bmcl.2009.10.126 Mus musculus 2
19932024 10.1016/j.bmcl.2009.10.115 MCF7 1
19932024 10.1016/j.bmcl.2009.10.115 MDA-MB-231 1
19932024 10.1016/j.bmcl.2009.10.115 Ishikawa 1
19932024 10.1016/j.bmcl.2009.10.115 DU-145 1

Data from ChEMBL 36 via Core Engine