Compound Detail
CHEMBL5566287
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Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nc(C(F)(F)F)nc3C2)c2nc(C)c(C)nc21
Basic Information
| ChEMBL ID | CHEMBL5566287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCJCFPWXUBRAII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
3.21
ALogP
9
HBA
2
HBD
128.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myelin transcription factor 1 CHEMBL2331044 | IC50 | 7.76 | 7.76 | 17.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myelin transcription factor 1 | IC50 | = | 17.3 | nM | 7.76 | Inhibition of human recombinant MYT1 incubated for 60 mins in presence of tracer... | 38146659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38146659 | 10.1021/acs.jmedchem.3c01476 | Myelin transcription factor 1 | 1 |
| 38146659 | 10.1021/acs.jmedchem.3c01476 | Wee1-like protein kinase | 1 |
Data from ChEMBL 36 via Core Engine