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Compound Detail

CHEMBL233547

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COC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233547
Phase Preclinical
Structure Type MOL
InChI Key HOGYDJCZSZCIJZ-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
4.40
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27NO4S
MW 449.57
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
17524640 10.1016/j.bmcl.2007.04.101 HeLa 2
17524640 10.1016/j.bmcl.2007.04.101 Kinesin-like protein KIF11 1

Data from ChEMBL 36 via Core Engine