Compound Detail
CHEMBL5998801
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Basic Information
| ChEMBL ID | CHEMBL5998801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPIJLTWKGVCMHH-LLVKDONJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
2.15
ALogP
5
HBA
2
HBD
75.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase MRCK beta CHEMBL5052 | Ki | 9.84 | 9.84 | 0.1 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 8.42 | 8.42 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase MRCK beta | Ki | = | 0.144 | nM | 9.84 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Rho-associated protein kinase 1 | Ki | = | 3.84 | nM | 8.42 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
Data from ChEMBL 36 via Core Engine