Compound Detail
CHEMBL3828121
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COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CNNC(=O)c1ccc(-c2ccc(Br)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL3828121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRBHVFVHDFOGPE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1127.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor acetylhydrolase IB subunit alpha2 CHEMBL4463 | IC50 | 4.47 | 4.445 | 34000.0 | 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 | = | 34000.0 | nM | 4.47 | Inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman... | 27160052 |
| Platelet-activating factor acetylhydrolase IB subunit alpha2 | IC50 | = | 38000.0 | nM | 4.42 | Time-dependent inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as subs... | 27160052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27160052 | 10.1016/j.bmc.2016.04.047 | Platelet-activating factor acetylhydrolase IB subunit alpha2 | 8 |
Data from ChEMBL 36 via Core Engine