Compound Detail
CHEMBL3980962
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O=C(Cn1nnc(-c2ccnc(C(F)(F)F)c2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1
Basic Information
| ChEMBL ID | CHEMBL3980962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AULPWQWMNBTWCD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
5.73
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255164 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine | EC50 | = | 0.6 | nM | 9.22 | Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by ... | 27876319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27876319 | 10.1016/j.bmcl.2016.11.012 | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
Data from ChEMBL 36 via Core Engine