Compound Detail
CHEMBL5933597
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O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cc(NC6CC6)ncn5)cc4[nH]3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5933597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQPKPVMDFLXHIG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
3.79
ALogP
8
HBA
3
HBD
115.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 1.0 | nM | 9.0 | TBK1 Low ATP Kinase Assay: Recombinant full-length N-terminally His-tagged human... | - |
Data from ChEMBL 36 via Core Engine