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

CHEMBL5194735

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
N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194735
Phase Preclinical
Structure Type MOL
InChI Key WHEOROSMGIWJSB-DEOSSOPVSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
4.82
ALogP
6
HBA
2
HBD
89.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N6O
MW 450.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.71

Activity Summary

EC50 2 meas. best 7.77
IC50 2 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
 IC50 8.8 8.45 1.6 2
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
 EC50 7.77 7.175 17.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leucine-rich repeat serine/threonine-protein kinase 2 IC50 = 1.6 nM 8.8 Inhibition of LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate p... 37734423
Leucine-rich repeat serine/threonine-protein kinase 2 IC50 = 8.0 nM 8.1 Inhibition of full length wild type LRRK2 (unknown origin) by LRRKtide Adapta as... 34992038
Leucine-rich repeat serine/threonine-protein kinase 2 EC50 = 17.0 nM 7.77 Inhibition of pcDNA5FRT-TO-GFP fused - LRRK2 G2019S mutant (unknown origin) tran... 34992038
Leucine-rich repeat serine/threonine-protein kinase 2 EC50 = 260.0 nM 6.58 Inhibition of wild type pcDNA5FRT-TO-GFP fused - LRRK2 (unknown origin) transfec... 34992038

Literature References

PubMed DOI Target Context # Activities
34992038 10.1016/j.ejmech.2021.114080 Leucine-rich repeat serine/threonine-protein kinase 2 5
34992038 10.1016/j.ejmech.2021.114080 Unchecked 2
37734423 10.1016/j.bmcl.2023.129487 Leucine-rich repeat serine/threonine-protein kinase 2 1
37734423 10.1016/j.bmcl.2023.129487 Unchecked 1

Data from ChEMBL 36 via Core Engine