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Compound Detail

CHEMBL1311517

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O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL1311517
Phase Preclinical
Structure Type MOL
InChI Key VUXNAMPPHVINFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
2.74
ALogP
2
HBA
2
HBD
61.4
PSA (Ų)
0.90
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 C17H23N3O2
MW 301.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.51

Activity Summary

EC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL1293203
EC50 5.14 5.14 7190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Major prion protein EC50 = 7190.0 nM 5.14 Binding affinity to Syrian hamster PrPC assessed as inhibition of PrPC protein c... 28951092

Literature References

PubMed DOI Target Context # Activities
28951092 10.1016/j.bmc.2017.09.024 Major prion protein 2

Data from ChEMBL 36 via Core Engine