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Compound Detail

CHEMBL1631205

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CC1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2

Basic Information

ChEMBL ID CHEMBL1631205
Phase Preclinical
Structure Type MOL
InChI Key MWWNFBMMPFQKBZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
3.70
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N3OS
MW 331.49
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -2.44

Activity Summary

Kd 1 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL3698
Kd 4.66 4.66 21900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Major prion protein Kd = 21900.0 nM 4.66 Binding affinity to mouse recombinant PrP (121-231) after 10 mins by surface pla... 19015328

Literature References

PubMed DOI Target Context # Activities
19015328 10.1128/aac.01112-08 Major prion protein 2

Data from ChEMBL 36 via Core Engine