Compound Detail
CHEMBL3609534
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Basic Information
| ChEMBL ID | CHEMBL3609534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRQNIJUBQRRAID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
3.18
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Secreted mono- and diacylglycerol lipase LIP1 CHEMBL3608197 | IC50 | 4.2 | 4.2 | 63600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Secreted mono- and diacylglycerol lipase LIP1 | IC50 | = | 63600.0 | nM | 4.2 | Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPC substrate | 26199121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26199121 | 10.1016/j.bmcl.2015.07.005 | Secreted mono- and diacylglycerol lipase LIP1 | 1 |
Data from ChEMBL 36 via Core Engine