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Compound Detail

CHEMBL5430605

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Cc1nn(CCSSCCn2nc(C)c(Cl)c2C)c(C)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5430605
Phase Preclinical
Structure Type MOL
InChI Key CYXITWGHYRCDNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
4.70
ALogP
6
HBA
0
HBD
35.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20Cl2N4S2
MW 379.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.17

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