Compound Detail
CHEMBL4241299
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Basic Information
| ChEMBL ID | CHEMBL4241299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASXCGNIXISBSFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
3.49
ALogP
7
HBA
1
HBD
76.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | Ki | = | 240.0 | nM | 6.62 | Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-A... | 29945794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29945794 | 10.1016/j.bmcl.2018.06.043 | No relevant target | 1 |
| 29945794 | 10.1016/j.bmcl.2018.06.043 | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| 29945794 | 10.1016/j.bmcl.2018.06.043 | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine