Compound Detail
CHEMBL4564841
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Basic Information
| ChEMBL ID | CHEMBL4564841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMXNKQYIZKJTOG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
0.97
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylserine lipase ABHD16A CHEMBL6168 | IC50 | 7.52 | 7.51 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylserine lipase ABHD16A | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant human ABHD16A expressed in HEK293T cells incubated for... | 38621327 |
| Phosphatidylserine lipase ABHD16A | IC50 | = | 32.0 | nM | 7.5 | Inhibition of ABHD16A (unknown origin) | 30613338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30613338 | 10.1021/acsmedchemlett.8b00442 | Phosphatidylserine lipase ABHD16A | 3 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Phosphatidylserine lipase ABHD16A | 1 |
Data from ChEMBL 36 via Core Engine