Compound Detail
CHEMBL3828611
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Basic Information
| ChEMBL ID | CHEMBL3828611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVJHNIKGVKWAGW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
380.2
MW (Da)
2.48
ALogP
6
HBA
1
HBD
91.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor acetylhydrolase IB subunit alpha2 CHEMBL4463 | IC50 | 5.3 | 4.76 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor acetylhydrolase IB subunit alpha2 | IC50 | = | 5000.0 | nM | 5.3 | Time-dependent inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as subs... | 27160052 |
| Platelet-activating factor acetylhydrolase IB subunit alpha2 | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman... | 27160052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27160052 | 10.1016/j.bmc.2016.04.047 | Platelet-activating factor acetylhydrolase IB subunit alpha2 | 4 |
Data from ChEMBL 36 via Core Engine