Compound Detail
CHEMBL5870210
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
O=C(/N=c1\[nH]c2ccccc2n1[C@H]1CC[C@@H](O)CC1)c1ccnc(-c2cccnc2F)c1
Basic Information
| ChEMBL ID | CHEMBL5870210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPJSHDHOWUBWNN-CALCHBBNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
3.78
ALogP
5
HBA
2
HBD
96.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.7 | 6.86 | 20.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 20.2 | nM | 7.7 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 958.0 | nM | 6.02 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
Data from ChEMBL 36 via Core Engine