Compound Detail
CHEMBL118417
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Basic Information
| ChEMBL ID | CHEMBL118417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPRAYRYQQAXQPE-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
5.93
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
EC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoyltransferase ZDHHC2 CHEMBL5169204 | IC50 | 5.7 | 5.7 | 2020.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.43 | 5.43 | 3720.0 | 1 |
| Palmitoyltransferase ZDHHC20 CHEMBL5169156 | IC50 | 5.26 | 5.26 | 5550.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoyltransferase ZDHHC2 | IC50 | = | 2020.0 | nM | 5.7 | Inhibition of human myc-His6-tagged zDHHC2 expressed in HEK293T cells using 5-FA... | 36262404 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 3720.0 | nM | 5.43 | In vitro transcription activation on human peroxisome proliferator activated rec... | 15177462 |
| Palmitoyltransferase ZDHHC20 | IC50 | = | 5550.0 | nM | 5.26 | Inhibition of human myc-His6-tagged zDHHC20 expressed in HEK293T cells using 5-F... | 36262404 |
| Tyrosine-protein kinase Lck | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of N-terminal human recombinant Lck expressed in baculovirus infected... | 38621327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177462 | 10.1016/j.bmcl.2004.04.053 | Peroxisome proliferator-activated receptor alpha | 2 |
| 15177462 | 10.1016/j.bmcl.2004.04.053 | Peroxisome proliferator-activated receptor gamma | 2 |
| 15177462 | 10.1016/j.bmcl.2004.04.053 | Peroxisome proliferator-activated receptor delta | 2 |
| 36262404 | 10.1021/acsmedchemlett.2c00336 | Palmitoyltransferase ZDHHC20 | 1 |
| 36262404 | 10.1021/acsmedchemlett.2c00336 | Palmitoyltransferase ZDHHC2 | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine