Compound Detail
CHEMBL4112693
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CC1(C)CC=C(c2cc(C3(C#N)C[C@@]4(C)CC[C@](C)(C3)O4)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL4112693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIMOBKDZNGIPRY-VSGBNLITSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
6.01
ALogP
5
HBA
2
HBD
114.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 82.0 | nM | 7.09 | Fluorescence Polarization Competition Immunoassay: An autophosphorylation, fluor... | - |
Data from ChEMBL 36 via Core Engine