Compound Detail
CHEMBL441913
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Basic Information
| ChEMBL ID | CHEMBL441913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLBAPJVAKZDUIA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
3.29
ALogP
3
HBA
2
HBD
76.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.02
Kd 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 9.02 | 9.02 | 0.9 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Baculoviral IAP repeat-containing protein 5 CHEMBL5989 | Kd | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 0.95 | nM | 9.02 | Tested in vitro on K+ -depolarized rat aorta strips to evaluate its ability to r... | 10969991 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubate... | 22339127 |
| Baculoviral IAP repeat-containing protein 5 | Kd | = | 75000.0 | nM | 4.12 | Binding affinity to human survivin expressed in Escherichia coli BL21 cells afte... | 17391963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969991 | 10.1016/s0960-894x(00)00361-9 | Rattus norvegicus | 2 |
| 17391963 | 10.1016/j.bmcl.2007.03.042 | Baculoviral IAP repeat-containing protein 5 | 1 |
| 22339127 | 10.1021/jm2014698 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine