Compound Detail
CHEMBL2035632
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Basic Information
| ChEMBL ID | CHEMBL2035632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZLQFLHBCDGIBH-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
7
PK Parameters
9
Publications
0
Known Names
Molecular Properties
334.2
MW (Da)
2.64
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 8.05 | 8.05 | 9.0 | 2 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Casein kinase II alpha'/ beta CHEMBL3883328 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.98 | 5.98 | 1051.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.62 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1800.0 | nM | Rattus norvegicus |
| Cmax | 800.0 | nM | Rattus norvegicus |
| F | 77.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| Vd | 3.8 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of N-terminal His-tagged human PIM1 expressed in Escherichia coli usi... | 22542012 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectroph... | 28760531 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of N-terminal His-tagged human PIM3 expressed in Escherichia coli usi... | 22542012 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 68.0 | nM | 7.17 | Inhibition of N-terminal His-tagged human PIM2 expressed in Escherichia coli usi... | 22542012 |
| Casein kinase II alpha'/ beta | IC50 | = | 115.0 | nM | 6.94 | Inhibition of N-terminal MBP-tagged human alpha2beta2 CK2 expressed in Escherich... | 22542012 |
| Unchecked | IC50 | = | 1051.0 | nM | 5.98 | Inhibition of PIM-mediated BAD S112 phosphorylation in human HEL92.1.7 cells aft... | 22542012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Rattus norvegicus | 9 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Unchecked | 3 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Plasma | 2 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Serine/threonine-protein kinase pim-1 | 1 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Serine/threonine-protein kinase pim-2 | 1 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Serine/threonine-protein kinase pim-3 | 1 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Casein kinase II alpha'/ beta | 1 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | MDCK | 1 |
| 28760531 | 10.1016/j.bmc.2017.07.036 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine