Compound Detail
CHEMBL5968389
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Basic Information
| ChEMBL ID | CHEMBL5968389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKSGUMBEZZQFIM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.07
ALogP
5
HBA
3
HBD
85.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase MRCK alpha CHEMBL4516 | Ki | 10.28 | 10.28 | 0.1 | 1 |
| Serine/threonine-protein kinase MRCK beta CHEMBL5052 | Ki | 9.69 | 9.69 | 0.2 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 7.63 | 7.63 | 23.6 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 6.97 | 6.97 | 108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase MRCK alpha | Ki | = | 0.052 | nM | 10.28 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Serine/threonine-protein kinase MRCK beta | Ki | = | 0.206 | nM | 9.69 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Rho-associated protein kinase 2 | Ki | = | 23.6 | nM | 7.63 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Rho-associated protein kinase 1 | Ki | = | 108.0 | nM | 6.97 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
Data from ChEMBL 36 via Core Engine