Compound Detail
CHEMBL6028879
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Cc1cc(Nc2ncnc3cc(F)cc(O[C@H]4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1
Basic Information
| ChEMBL ID | CHEMBL6028879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXCQCMLMNBGYGD-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.5
MW (Da)
5.37
ALogP
9
HBA
1
HBD
89.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 44.0 | nM | 7.36 | Inhibition Assay: HER2: The compounds' inhibition of target modulation were dete... | - |
Data from ChEMBL 36 via Core Engine