Compound Detail
CHEMBL3956660
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COC[C@@]12C=C[C@@](COC)(C[C@](O)(c3ccc(NC(=O)c4ncc(C#N)[nH]4)c(C4=CCC(C)(C)CC4)c3)C1)O2
Basic Information
| ChEMBL ID | CHEMBL3956660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDVFUIIGNUQQBH-BKHFGAQXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
4.47
ALogP
7
HBA
3
HBD
129.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 9.07 | 9.07 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.86 | nM | 9.07 | Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescenc... | - |
Data from ChEMBL 36 via Core Engine