Compound Detail
CHEMBL2325990
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Basic Information
| ChEMBL ID | CHEMBL2325990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEWPUFBIMQZXRG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
1.54
ALogP
7
HBA
3
HBD
134.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 6.12 | 6.12 | 756.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.09 | 6.09 | 805.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 5.94 | 5.94 | 1144.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.29 | 5165.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 183.0 | nM | 6.74 | Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as s... | 23394218 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 756.0 | nM | 6.12 | Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as s... | 23394218 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 805.0 | nM | 6.09 | Inhibition of recombinant Akt2 (unknown origin) using 5-FAM-labeled peptide as s... | 23394218 |
| Rho-associated protein kinase 2 | IC50 | = | 1144.0 | nM | 5.94 | Inhibition of recombinant ROCK2 (unknown origin) using 5-FAM-labeled peptide as ... | 23394218 |
| Unchecked | IC50 | = | 5165.0 | nM | 5.29 | Inhibition of Akt in human MDA-MB-468 cells assessed as inhibition of GSK3beta p... | 23394218 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23394218 | 10.1021/jm301762v | No relevant target | 2 |
| 23394218 | 10.1021/jm301762v | Unchecked | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 23394218 | 10.1021/jm301762v | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23394218 | 10.1021/jm301762v | Rho-associated protein kinase 2 | 1 |
| 23394218 | 10.1021/jm301762v | RAC-gamma serine/threonine-protein kinase | 1 |
| 23394218 | 10.1021/jm301762v | RAC-beta serine/threonine-protein kinase | 1 |
| 23394218 | 10.1021/jm301762v | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine