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Compound Detail

CHEMBL5407538

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O=C1c2ccccc2C(=O)N1CCSSCCN1C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407538
Phase Preclinical
Structure Type MOL
InChI Key OOVODYBFEYYJCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
2.96
ALogP
6
HBA
0
HBD
74.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O4S2
MW 412.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
37465295 10.1021/acsmedchemlett.2c00470 Unchecked 1
37465295 10.1021/acsmedchemlett.2c00470 Glutaminase kidney isoform, mitochondrial 1
37465295 10.1021/acsmedchemlett.2c00470 Thioredoxin reductase 1
37465295 10.1021/acsmedchemlett.2c00470 H22 1
37465295 10.1021/acsmedchemlett.2c00470 A549 1

Data from ChEMBL 36 via Core Engine