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Compound Detail

CHEMBL232635

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CC(=O)CC(c1ccccc1)c1c(SC[C@@H](NC(C)=O)C(=O)O)c2ccccc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232635
Phase Preclinical
Structure Type MOL
InChI Key LVAOENGTERCJHM-MUMRKEEXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
3.59
ALogP
6
HBA
2
HBD
113.7
PSA (Ų)
0.38
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 C24H23NO6S
MW 453.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
17275317 10.1016/j.bmc.2007.01.014 Unchecked 1

Data from ChEMBL 36 via Core Engine