Compound Detail
CHEMBL6021899
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Basic Information
| ChEMBL ID | CHEMBL6021899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDBDEJFJWFXSGJ-KRWDZBQOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
2.29
ALogP
4
HBA
3
HBD
72.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase MRCK alpha CHEMBL4516 | Ki | 9.72 | 9.72 | 0.2 | 1 |
| Serine/threonine-protein kinase MRCK beta CHEMBL5052 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 6.96 | 6.96 | 111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase MRCK alpha | Ki | = | 0.19 | nM | 9.72 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Serine/threonine-protein kinase MRCK beta | Ki | = | 0.303 | nM | 9.52 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Rho-associated protein kinase 2 | Ki | = | 30.0 | nM | 7.52 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Rho-associated protein kinase 1 | Ki | = | 111.0 | nM | 6.96 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
Data from ChEMBL 36 via Core Engine