Compound Detail
CHEMBL5903829
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NC(=O)c1c(-c2ccc(Oc3ccc(Cl)cn3)cc2)nn(C2CCCN(C(=O)/C=C/CF)C2)c1N
Basic Information
| ChEMBL ID | CHEMBL5903829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXSBUVPAJOBMGO-DAFODLJHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.9
MW (Da)
3.76
ALogP
7
HBA
2
HBD
129.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.26 | 8.26 | 5.5 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.05 | 6.05 | 890.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 5.5 | nM | 8.26 | Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 5.5 | nM | 8.26 | LanthaScreen Assay: BTK: TR-FRET LanthaScreen assays were performed by incubatin... | - |
| Epidermal growth factor receptor | IC50 | = | 890.0 | nM | 6.05 | Human EGFR LanthaScreen Selectivity Assay: TR-FRET LanthaScreen assays were perf... | - |
| Epidermal growth factor receptor | IC50 | = | 890.0 | nM | 6.05 | TR-FRET LanthaScreen Assay: EGFR: TR-FRET LanthaScreen assays were performed by ... | - |
Data from ChEMBL 36 via Core Engine