Compound Detail
CHEMBL5171728
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Basic Information
| ChEMBL ID | CHEMBL5171728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBLNSVZHOZOZQX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.5
MW (Da)
4.99
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoyltransferase ZDHHC20 CHEMBL5169156 | IC50 | 4.67 | 4.67 | 21400.0 | 2 |
| Palmitoyltransferase ZDHHC2 CHEMBL5169204 | IC50 | 4.22 | 4.22 | 59900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoyltransferase ZDHHC20 | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of human myc-His6-tagged zDHHC20 expressed in HEK293T cells using 5-F... | 36262404 |
| Palmitoyltransferase ZDHHC20 | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of ZDHHC20 (unknown origin) | 38621327 |
| Palmitoyltransferase ZDHHC2 | IC50 | = | 59900.0 | nM | 4.22 | Inhibition of human myc-His6-tagged zDHHC2 expressed in HEK293T cells using 5-FA... | 36262404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36262404 | 10.1021/acsmedchemlett.2c00336 | Palmitoyltransferase ZDHHC20 | 1 |
| 36262404 | 10.1021/acsmedchemlett.2c00336 | Palmitoyltransferase ZDHHC2 | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Palmitoyltransferase ZDHHC20 | 1 |
Data from ChEMBL 36 via Core Engine