Compound Detail
CHEMBL6057813
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CCN1CC[C@H](Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Basic Information
| ChEMBL ID | CHEMBL6057813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZUTVNCMEXTUSJ-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
5.63
ALogP
9
HBA
1
HBD
89.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 7.56 | nM | 8.12 | Inhibition Assay: HER2: The compounds' inhibition of target modulation were dete... | - |
Data from ChEMBL 36 via Core Engine