Compound Detail
CHEMBL1996780
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Basic Information
| ChEMBL ID | CHEMBL1996780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNMXOXGXHRHBLO-UHFFFAOYSA-N |
11
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.24
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 11 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Serine/threonine-protein kinase MRCK alpha CHEMBL4516 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Serine/threonine-protein kinase MARK2 CHEMBL3831 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine