Compound Detail
CHEMBL3674582
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C[C@@H]1C2(C)C=C[C@@](C)(O2)[C@H](C)[C@@]1(O)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3674582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXUMFNVUTUEXDZ-FMYORNQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
5.70
ALogP
5
HBA
3
HBD
111.0
PSA (Ų)
0.47
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 99.0 | nM | 7.0 | Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescenc... | - |
Data from ChEMBL 36 via Core Engine