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Compound Detail

CHEMBL362352

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O=C(Cc1cccs1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL362352
Phase Preclinical
Structure Type MOL
InChI Key CWEWMLKWBMKRPU-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
3.34
ALogP
5
HBA
1
HBD
86.8
PSA (Ų)
0.62
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 C23H21N3O4S2
MW 467.57
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
15546733 10.1016/j.bmcl.2004.09.069 Beta tubulin 2
15546733 10.1016/j.bmcl.2004.09.069 HCT-116 1
15546733 10.1016/j.bmcl.2004.09.069 A549 1
15546733 10.1016/j.bmcl.2004.09.069 NCI-H460 1

Data from ChEMBL 36 via Core Engine