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Compound Detail

CHEMBL5170471

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CCCSc1nc(NC2CC2)c2nnn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1

Basic Information

ChEMBL ID CHEMBL5170471
Phase Preclinical
Structure Type MOL
InChI Key ODTVKKJBJRTYIC-LLHIFLOGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
0.33
ALogP
10
HBA
4
HBD
129.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N6O3S
MW 366.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.09 6.09 820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 820.0 nM 6.09 Antiplatelet activity against ADP-induced human platelet in platelet rich plasma... 34458743

Literature References

PubMed DOI Target Context # Activities
34458743 10.1039/D1MD00128K Unchecked 2

Data from ChEMBL 36 via Core Engine