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Compound Detail

CHEMBL5907420

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O=C(O)COC[C@H]1CC[C@@H](Cn2nc(-c3ccccc3)c(-c3ccccc3)c2SCCO)CC1

Basic Information

ChEMBL ID CHEMBL5907420
Phase Preclinical
Structure Type MOL
InChI Key GLAMVSLFXKZMDJ-OYRHEFFESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
5.21
ALogP
6
HBA
2
HBD
84.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N2O4S
MW 480.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL4869
IC50 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Major prion protein IC50 = 70.0 nM 7.16 Human Platelet Aggregation Inhibition Test: Blood collected from healthy human v... -

Data from ChEMBL 36 via Core Engine