Compound Detail
CHEMBL4075002
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CC(C)N1CCN([C@H]2CC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL4075002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMUOXVONZMGWIG-SOAUALDESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
5.98
ALogP
7
HBA
1
HBD
72.4
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK CHEMBL3234 | IC50 | 9.59 | 9.59 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK | IC50 | = | 0.257 | nM | 9.59 | Inhibition of HCK (unknown origin) | 28662963 |
| Tyrosine-protein kinase HCK | IC50 | = | 0.26 | nM | 9.59 | Inhibition of HCK (unknown origin) | 28662963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28662963 | 10.1016/j.bmc.2017.05.053 | Tyrosine-protein kinase HCK | 2 |
Data from ChEMBL 36 via Core Engine