Compound Detail
CHEMBL5958092
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5958092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCJKEBUDZLRUMX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.11
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase MRCK beta CHEMBL5052 | Ki | 10.2 | 10.2 | 0.1 | 1 |
| Serine/threonine-protein kinase MRCK alpha CHEMBL4516 | Ki | 9.9 | 9.9 | 0.1 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 6.82 | 6.82 | 152.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 4.3 | 4.3 | 50250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase MRCK beta | Ki | = | 0.063 | nM | 10.2 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Serine/threonine-protein kinase MRCK alpha | Ki | = | 0.127 | nM | 9.9 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Rho-associated protein kinase 2 | Ki | = | 152.0 | nM | 6.82 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
| Rho-associated protein kinase 1 | Ki | = | 50250.0 | nM | 4.3 | Kinase Assay: MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP ... | - |
Data from ChEMBL 36 via Core Engine