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

CHEMBL5187835

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
O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1cc(F)ccc1F)C2=O

Basic Information

ChEMBL ID CHEMBL5187835
Phase Preclinical
Structure Type MOL
InChI Key UBVAVSVJDWISIE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
3.62
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22F2N2O2
MW 384.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
IC50 6.16 6.16 693.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35228069 10.1016/j.bmc.2022.116686 Receptor-interacting serine/threonine-protein kinase 1 3

Data from ChEMBL 36 via Core Engine