Compound Detail
CHEMBL3827685
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COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccc(N(C)C)cc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O
Basic Information
| ChEMBL ID | CHEMBL3827685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBMLBORJIBPVJP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1196.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor acetylhydrolase IB subunit alpha2 CHEMBL4463 | IC50 | 5.4 | 5.28 | 4000.0 | 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 | = | 4000.0 | nM | 5.4 | Time-dependent inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as subs... | 27160052 |
| Platelet-activating factor acetylhydrolase IB subunit alpha2 | IC50 | = | 7000.0 | nM | 5.16 | 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 |
| 27160052 | 10.1016/j.bmc.2016.04.047 | Serine hydrolase RBBP9 | 1 |
| 27160052 | 10.1016/j.bmc.2016.04.047 | Protein phosphatase methylesterase 1 | 1 |
| 27160052 | 10.1016/j.bmc.2016.04.047 | Alpha/beta hydrolase domain-containing protein 17B | 1 |
| 27160052 | 10.1016/j.bmc.2016.04.047 | Platelet-activating factor acetylhydrolase IB subunit alpha1 | 1 |
Data from ChEMBL 36 via Core Engine