Compound Detail
CHEMBL5845030
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Basic Information
| ChEMBL ID | CHEMBL5845030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHPDMXOIUFIAEH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
5.24
ALogP
9
HBA
1
HBD
89.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 8.16 | 8.095 | 6.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 6.86 | nM | 8.16 | Inhibition Assay: HER2: The compounds' inhibition of target modulation were dete... | - |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 9.38 | nM | 8.03 | Inhibition Assay: HER2: The compounds' inhibition of target modulation were dete... | - |
Data from ChEMBL 36 via Core Engine