Compound Detail
CHEMBL4536076
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Basic Information
| ChEMBL ID | CHEMBL4536076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGTIIRYHWGADFD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
2.38
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Group 10 secretory phospholipase A2 CHEMBL4342 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.018 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Group 10 secretory phospholipase A2 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of recombinant sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-s... | 27774123 |
| Phospholipase A2, membrane associated | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of recombinant sPLA2-2A (unknown origin) using 1-palmitoyl-2-oleoyl-s... | 27774123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27774123 | 10.1021/acsmedchemlett.6b00188 | Phospholipase A2, membrane associated | 2 |
| 27774123 | 10.1021/acsmedchemlett.6b00188 | Unchecked | 1 |
| 27774123 | 10.1021/acsmedchemlett.6b00188 | Group 10 secretory phospholipase A2 | 1 |
| 27774123 | 10.1021/acsmedchemlett.6b00188 | ADMET | 1 |
| 27774123 | 10.1021/acsmedchemlett.6b00188 | Secretory phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine