Compound Detail
CHEMBL4749646
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CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)CC3)c12
Basic Information
| ChEMBL ID | CHEMBL4749646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUODKONSNNHSAJ-AMLBMYBGSA-N |
9
Targets
13
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
878.1
MW (Da)
3.35
ALogP
13
HBA
2
HBD
176.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.3
Kd 5 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 3 CHEMBL5081 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Cyclin-C/Cyclin-dependent kinase 19 CHEMBL3883323 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Interleukin-1 receptor-associated kinase 3 CHEMBL5081 | Kd | 7.47 | 7.47 | 34.0 | 1 |
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Protein cereblon CHEMBL3763008 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | Kd | 6.11 | 6.11 | 780.0 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | Kd | 5.85 | 5.85 | 1400.0 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | Kd | 5.55 | 5.55 | 2800.0 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Kd | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine