Compound Detail
CHEMBL3899964
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CCn1cc(-c2cc3c(-c4ccc(C5CC5)c(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1
Basic Information
| ChEMBL ID | CHEMBL3899964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRXJFWBWHWPJIZ-KRWDZBQOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.71
ALogP
7
HBA
2
HBD
101.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 10.68 | 10.68 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.021 | nM | 10.68 | PIM Kinase Binding Activity Assay: PIM-1, PIM-2, and PIM-3 enzymes were generate... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.021 | nM | 10.68 | PIM Kinase Binding Activity Assay: PIM-1, PIM-2, and PIM-3 enzymes were generate... | - |
Data from ChEMBL 36 via Core Engine