Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL6009393

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COC1CCC2(CC1)Cc1ccc(-c3cc(C)cc(C#N)c3)cc1C21N=C(C)C(N)=N1

Basic Information

ChEMBL ID CHEMBL6009393
Phase Preclinical
Structure Type MOL
InChI Key ZBNKTPSOILJWQX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.65
ALogP
5
HBA
1
HBD
83.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O
MW 412.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.09

Activity Summary

IC50 2 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
IC50 8.68 8.635 2.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine