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Compound Detail

CHEMBL5189225

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CC1NN=CC1Nc1ncc2cc(Cl)c(N3CCC(C)(O)C(C)C3)cc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189225
Phase Preclinical
Structure Type MOL
InChI Key MPCUNIBDWNYAQP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.9
MW (Da)
2.64
ALogP
7
HBA
3
HBD
85.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25ClN6O
MW 388.90
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 10.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
 IC50 10.19 10.19 0.1 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 = 0.06457 nM 10.19 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