Compound Detail
CHEMBL5978166
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C[C@@H](OCc1ccccc1)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2cc(Cl)nn12
Basic Information
| ChEMBL ID | CHEMBL5978166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHEOYUFHWMKURA-CQSZACIVSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.9
MW (Da)
5.30
ALogP
9
HBA
2
HBD
124.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mucosa-associated lymphoid tissue lymphoma translocation protein 1 CHEMBL3632452 | IC50 | 10.96 | 10.96 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | IC50 | = | 0.011 | nM | 10.96 | Biochemical Assay: IC50 values of test compounds were determined with an enzyme ... | - |
| Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | IC50 | = | 0.011 | nM | 10.96 | Biochemical Assay: The assay employs a short peptide substrate labeled with the ... | - |
Data from ChEMBL 36 via Core Engine