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Compound Detail

CHEMBL5201483

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CC(C)(C)Cn1cc(Nc2ncc3cc(Cl)c(N4CCC(C5(C)COC5)CC4)cc3n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5201483
Phase Preclinical
Structure Type MOL
InChI Key GBQMFZQDSFTYJC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.0
MW (Da)
5.52
ALogP
7
HBA
1
HBD
68.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33ClN6O
MW 469.03
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 9.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
 IC50 9.73 9.73 0.2 1

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 = 0.1875 nM 9.73 Inhibition of GST-tagged truncated human LRRK2 G2019S mutant using fluorescein l... 35586430

Literature References

PubMed DOI Target Context # Activities
35586430 10.1021/acsmedchemlett.2c00155 Leucine-rich repeat serine/threonine-protein kinase 2 1

Data from ChEMBL 36 via Core Engine