Compound Detail
CHEMBL5201039
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Basic Information
| ChEMBL ID | CHEMBL5201039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIIUZCPEMOKUSJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.5
MW (Da)
5.23
ALogP
2
HBA
0
HBD
44.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoyltransferase ZDHHC2 CHEMBL5169204 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Palmitoyltransferase ZDHHC20 CHEMBL5169156 | IC50 | 5.87 | 5.87 | 1350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoyltransferase ZDHHC2 | IC50 | = | 590.0 | nM | 6.23 | Inhibition of human myc-His6-tagged zDHHC2 expressed in HEK293T cells using 5-FA... | 36262404 |
| Palmitoyltransferase ZDHHC20 | IC50 | = | 1350.0 | nM | 5.87 | Inhibition of human myc-His6-tagged zDHHC20 expressed in HEK293T cells using 5-F... | 36262404 |
| Palmitoyltransferase ZDHHC20 | IC50 | = | 1350.0 | nM | 5.87 | Inhibition of ZDHHC20 (unknown origin) | 38621327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36262404 | 10.1021/acsmedchemlett.2c00336 | Palmitoyltransferase ZDHHC2 | 2 |
| 36262404 | 10.1021/acsmedchemlett.2c00336 | Palmitoyltransferase ZDHHC20 | 1 |
| 36262404 | 10.1021/acsmedchemlett.2c00336 | No relevant target | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Palmitoyltransferase ZDHHC20 | 1 |
Data from ChEMBL 36 via Core Engine