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Compound Detail

CHEMBL1631117

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Cc1cccc2cc(C#N)c(N3CCCN(C(=O)C4CCC4)CC3)nc12

Basic Information

ChEMBL ID CHEMBL1631117
Phase Preclinical
Structure Type MOL
InChI Key ODMYUYADYMQKLZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.25
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O
MW 348.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.86

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 7290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Major prion protein EC50 = 7290.0 nM 5.14 Binding affinity to Syrian hamster PrPC assessed as inhibition of PrPC protein c... 28951092

Literature References

PubMed DOI Target Context # Activities
19015328 10.1128/aac.01112-08 Major prion protein 2
28951092 10.1016/j.bmc.2017.09.024 Major prion protein 2

Data from ChEMBL 36 via Core Engine