Compound Detail
CHEMBL4572195
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C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(N5CCCC5(C)C)nc34)[nH]c21
Basic Information
| ChEMBL ID | CHEMBL4572195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTWLLGKUEJXNPC-GFCCVEGCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
3.11
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Serine/threonine-protein kinase PIM CHEMBL3559682 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 | IC50 | = | 0.6 | nM | 9.22 | Inhibition of full length recombinant Pim-2 (unknown origin) assessed as reducti... | 27285051 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of full length recombinant Pim-1 (unknown origin) assessed as reducti... | 27285051 |
| Serine/threonine-protein kinase PIM | IC50 | = | 88.0 | nM | 7.06 | Inhibition of pan Pim in human KMS-12-BM cells assessed as reduction in phosphor... | 27285051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27285051 | 10.1021/acs.jmedchem.6b00610 | No relevant target | 2 |
| 27285051 | 10.1021/acs.jmedchem.6b00610 | Serine/threonine-protein kinase pim-1 | 1 |
| 27285051 | 10.1021/acs.jmedchem.6b00610 | Serine/threonine-protein kinase pim-2 | 1 |
| 27285051 | 10.1021/acs.jmedchem.6b00610 | Serine/threonine-protein kinase PIM | 1 |
Data from ChEMBL 36 via Core Engine