Compound Detail
CHEMBL4065334
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CC(C)C[C@H](N[C@H]1CC[C@H](n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4065334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHDXSZQPSZPOBP-MCEYFSPLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
5.45
ALogP
7
HBA
3
HBD
121.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK CHEMBL3234 | IC50 | 6.68 | 6.68 | 208.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK | IC50 | = | 208.93 | nM | 6.68 | Inhibition of HCK (75 to 526 residues) (unknown origin) expressed in Sf9 insect ... | 28662963 |
| Tyrosine-protein kinase HCK | IC50 | = | 210.0 | nM | 6.68 | Inhibition of HCK (75 to 526 residues) (unknown origin) expressed in Sf9 insect ... | 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