Compound Detail
CHEMBL3968152
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C[C@]12CC(c3ccc(NC(=O)c4ncc(C#N)[nH]4)c(C4=CCCCC4)n3)C[C@](C)(O1)[C@H](O)[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL3968152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFHAUJKTAWRKHY-QNELOFPJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.03
ALogP
7
HBA
4
HBD
144.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.9 | nM | 8.54 | Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescenc... | - |
Data from ChEMBL 36 via Core Engine