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Compound Detail

CHEMBL302212

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COc1ccc(CSC[C@H](N)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302212
Phase Preclinical
Structure Type MOL
InChI Key PQPZSPJVMUCVAQ-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
1.34
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.79
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 C11H15NO3S
MW 241.31
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
8642562 10.1021/jm950750x Kynurenine--oxoglutarate transaminase 1 1
17524640 10.1016/j.bmcl.2007.04.101 Kinesin-like protein KIF11 1
17524640 10.1016/j.bmcl.2007.04.101 HeLa 1

Data from ChEMBL 36 via Core Engine