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Compound Detail

CHEMBL232727

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CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232727
Phase Preclinical
Structure Type MOL
InChI Key JDTOWOURWBDELG-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

463.6
MW (Da)
5.69
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO4S
MW 463.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.34

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