Compound Detail
CHEMBL5965573
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccccc1-c1cc(C(=O)/N=c2\[nH]c3ccccc3n2[C@@H]2CC[C@H](O)[C@@H](O)C2)ccn1
Basic Information
| ChEMBL ID | CHEMBL5965573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMTRLEKKTLEDTH-VSDWSMLSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
3.23
ALogP
6
HBA
3
HBD
112.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.11 | 7.61 | 7.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 7.7 | nM | 8.11 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 77.1 | nM | 7.11 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
Data from ChEMBL 36 via Core Engine