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Compound Detail

CHEMBL5438783

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COc1ccc(SC2=C(O)C(=O)c3cccc(O)c3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5438783
Phase Preclinical
Structure Type MOL
InChI Key RHVYWAVCBNJYSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.34
ALogP
6
HBA
2
HBD
83.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12O5S
MW 328.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
38381886 10.1021/acs.jmedchem.3c02107 Protein disulfide-isomerase 2
38381886 10.1021/acs.jmedchem.3c02107 Platelet 2
38381886 10.1021/acs.jmedchem.3c02107 A549 1
38381886 10.1021/acs.jmedchem.3c02107 MDA-MB-231 1
38381886 10.1021/acs.jmedchem.3c02107 U-87 MG 1
38381886 10.1021/acs.jmedchem.3c02107 RPMI-8226 1
38381886 10.1021/acs.jmedchem.3c02107 EA.hy 926 1

Data from ChEMBL 36 via Core Engine