Compound Detail
CHEMBL210403
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Basic Information
| ChEMBL ID | CHEMBL210403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVXQGSUYHLNMTC-NRFANRHFSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.04
ALogP
5
HBA
2
HBD
86.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
Ki 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| MIA PaCa-2 CHEMBL614725 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 17.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | Ki | = | 1.1 | nM | 8.96 | Inhibition of Akt1 in presence of 10 uM ATP | 16678413 |
| MIA PaCa-2 | EC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human MiaPaCa2 cell line | 16678413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16678413 | 10.1016/j.bmcl.2006.04.046 | MIA PaCa-2 | 1 |
| 16678413 | 10.1016/j.bmcl.2006.04.046 | Mus musculus | 1 |
| 16678413 | 10.1016/j.bmcl.2006.04.046 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine