Compound Detail
CHEMBL4525638
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Basic Information
| ChEMBL ID | CHEMBL4525638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJBBAPPWVJEOMC-MNDPQUGUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.6
MW (Da)
5.59
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylserine lipase ABHD16A CHEMBL6168 | IC50 | 7.05 | 6.875 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylserine lipase ABHD16A | IC50 | = | 90.0 | nM | 7.05 | Inhibition of ABHD16A (unknown origin) | 30613338 |
| Phosphatidylserine lipase ABHD16A | IC50 | = | 200.0 | nM | 6.7 | Inhibition of recombinant human ABHD16A expressed in HEK293T cells incubated for... | 38621327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30613338 | 10.1021/acsmedchemlett.8b00442 | Phosphatidylserine lipase ABHD16A | 2 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Phosphatidylserine lipase ABHD16A | 1 |
Data from ChEMBL 36 via Core Engine