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Compound Detail

CHEMBL5418186

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Nc1nnc(CCCCCCc2nnc(N)s2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5418186
Phase Preclinical
Structure Type MOL
InChI Key FRCCJOYPVZBKIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
1.90
ALogP
8
HBA
2
HBD
103.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N6S2
MW 284.41
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.02

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