Compound Detail
CHEMBL5780923
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C[C@H](O)CNCc1cc(OC2CCN([C@H]3C[C@](CC#N)(n4cc(-c5ncnc6[nH]ccc56)cn4)C3)CC2)nc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL5780923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHTRVONXSDSHCU-NRVKVJMMSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
609.7
MW (Da)
4.02
ALogP
10
HBA
3
HBD
140.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 5.7 | 5.7 | 2000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 2000.0 | nM | 5.7 | TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 2000.0 | nM | 5.7 | Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2,... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 2000.0 | nM | 5.7 | TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... | - |
Data from ChEMBL 36 via Core Engine