Compound Detail
CHEMBL3734934
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
Basic Information
| ChEMBL ID | CHEMBL3734934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPMVYYLSRDJWNL-DOMZBBRYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
1.95
ALogP
9
HBA
3
HBD
112.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 151.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 382.0 | 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 | = | 16.0 | nM | 7.8 | Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 ... | 26455919 |
| Epidermal growth factor receptor | IC50 | = | 2530.0 | nM | 5.6 | Inhibition of EGFR phosphorylation in human NCI-H1975 cells preincubated for 1 h... | 26455919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26455919 | 10.1021/acs.jmedchem.5b01412 | Epidermal growth factor receptor | 4 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | Rattus norvegicus | 2 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | No relevant target | 1 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine