Compound Detail
CHEMBL6020978
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COc1ccccc1-c1cc(C(=O)/N=c2\[nH]c3ccccc3n2[C@H]2CCC[C@H](O)C2)ccn1
Basic Information
| ChEMBL ID | CHEMBL6020978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVCGGLLCKZTAGE-OALUTQOASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
4.26
ALogP
5
HBA
2
HBD
92.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.05 | 8.275 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.9 | nM | 9.05 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 31.5 | nM | 7.5 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
Data from ChEMBL 36 via Core Engine