Compound Detail
CHEMBL4787816
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Basic Information
| ChEMBL ID | CHEMBL4787816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPDGVJBWBHGXCW-HSZRJFAPSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.43
ALogP
7
HBA
4
HBD
98.3
PSA (Ų)
0.25
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.5 | mL.min-1.g-1 | Homo sapiens |
| Fu | 0.68 | - | Not specified |
| T1/2 | 1.59 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.3 | nM | 9.52 | Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate in presence of [... | 27614407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27614407 | 10.1016/j.ejmech.2016.08.068 | ADMET | 7 |
| 27614407 | 10.1016/j.ejmech.2016.08.068 | Epidermal growth factor receptor | 2 |
| 27614407 | 10.1016/j.ejmech.2016.08.068 | No relevant target | 1 |
| 27614407 | 10.1016/j.ejmech.2016.08.068 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine