Compound Detail
CHEMBL3735045
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Basic Information
| ChEMBL ID | CHEMBL3735045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMJAMNNZTJYPHO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
2.87
ALogP
9
HBA
1
HBD
105.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 7.19 | 7.19 | 64.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 165.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 934.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Ki | = | 64.0 | nM | 7.19 | Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 ... | 26455919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26455919 | 10.1021/acs.jmedchem.5b01412 | Rattus norvegicus | 2 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | Epidermal growth factor receptor | 1 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | No relevant target | 1 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | Liver microsome | 1 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine