Compound Detail
CHEMBL6023020
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CC1(C)OC[C@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)CC2CCSS2)O1
Basic Information
| ChEMBL ID | CHEMBL6023020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZFLJSHHAMLIOE-SKCDSABHSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
695.2
MW (Da)
8.23
ALogP
10
HBA
2
HBD
114.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Kd | 7.3 | 7.3 | 50.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Kd | = | 50.0 | nM | 7.3 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
| Epidermal growth factor receptor | Kd | = | 50.0 | nM | 7.3 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
| Epidermal growth factor receptor | Kd | = | 50.0 | nM | 7.3 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
| Epidermal growth factor receptor | Kd | = | 50.0 | nM | 7.3 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
Data from ChEMBL 36 via Core Engine