Compound Detail
CHEMBL4473676
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CC(C)(C)N1CCN(Cc2ccc3cc(C(=O)Nc4cc(NC(=O)c5ccc6c(c5)OCCO6)ccc4Cl)ccc3n2)CC1
Basic Information
| ChEMBL ID | CHEMBL4473676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORLJHIALWUUFDA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
614.1
MW (Da)
6.08
ALogP
7
HBA
2
HBD
96.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pirin CHEMBL2010627 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pirin | IC50 | = | 33.0 | nM | 7.48 | Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-... | 30613326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30613326 | 10.1021/acsmedchemlett.8b00364 | Serine/threonine-protein kinase B-raf | 2 |
| 30613326 | 10.1021/acsmedchemlett.8b00364 | Pirin | 1 |
Data from ChEMBL 36 via Core Engine