Compound Detail
CHEMBL51853
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Basic Information
| ChEMBL ID | CHEMBL51853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWTYLCVLKNHZDT-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.2
MW (Da)
3.11
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.89 | 8.845 | 0.1 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.13 | nM | 9.89 | Tested for inhibition of PLC gamma-derived substrate in Epidermal growth factor ... | 9191958 |
| Epidermal growth factor receptor | IC50 | = | 0.13 | nM | 9.89 | Inhibit of phosphorylation of a tyrosine/glutamic acid copolymer by epidermal gr... | 9513602 |
| Epidermal growth factor receptor | IC50 | = | 0.13 | nM | 9.89 | Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from... | 8627606 |
| Epidermal growth factor receptor | IC50 | = | 16.0 | nM | 7.8 | Tested for inhibition of autophosphorylation in Epidermal growth factor receptor... | 9191958 |
| Epidermal growth factor receptor | IC50 | = | 16.0 | nM | 7.8 | Inhibition of autophosphorylation of epidermal growth factor receptor in A431 ce... | 9513602 |
| Epidermal growth factor receptor | IC50 | = | 16.0 | nM | 7.8 | Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human... | 8627606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191958 | 10.1021/jm960879m | Epidermal growth factor receptor | 2 |
| 9513602 | 10.1021/jm970641d | Epidermal growth factor receptor | 2 |
| 8627606 | 10.1021/jm9508651 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine