Compound Detail
CHEMBL3956906
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CC1(C)CC=C(c2nc([C@H]3C[C@@]4(C)O[C@@](C)(C3)[C@@H]3OC(C)(C)O[C@@H]34)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL3956906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQBWZHVBJLXMFF-BQGVPGDKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
531.7
MW (Da)
5.47
ALogP
7
HBA
2
HBD
122.2
PSA (Ų)
0.54
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 4.6 | nM | 8.34 | Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescenc... | - |
Data from ChEMBL 36 via Core Engine