Compound Detail
CHEMBL2387474
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O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(CCC3CCNCC3)nc12
Basic Information
| ChEMBL ID | CHEMBL2387474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNOTUHKIYPIPHI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
4.74
ALogP
6
HBA
3
HBD
100.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 10.82 | 10.82 | 0.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 10.6 | 10.6 | 0.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 9.77 | 9.77 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.015 | nM | 10.82 | Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins... | 23623490 |
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.025 | nM | 10.6 | Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins... | 23623490 |
| Serine/threonine-protein kinase pim-2 | Ki | = | 0.17 | nM | 9.77 | Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins... | 23623490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23623490 | 10.1016/j.bmcl.2013.04.020 | Serine/threonine-protein kinase pim-3 | 1 |
| 23623490 | 10.1016/j.bmcl.2013.04.020 | Serine/threonine-protein kinase pim-2 | 1 |
| 23623490 | 10.1016/j.bmcl.2013.04.020 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine