Compound Detail
CHEMBL594621
ICOMUCRET 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL594621 |
| Name | ICOMUCRET |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JSFATNQSLKRBCI-VAEKSGALSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
3
Known Names
Molecular Properties
320.5
MW (Da)
5.19
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 3 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.84 | 5.3733 | 1450.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1450.0 | nM | 5.84 | Inhibition of rat neutrophil 5- Lipoxygenase (5-LO) | 3806607 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of rat basophilic leukemia-1 (RBL-1) 5-lipoxygenase | 3806609 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7300.0 | nM | 5.14 | In vitro inhibitory activity against RBL-1 5-LO | 3820229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806609 | 10.1021/jm00385a005 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 3806607 | 10.1021/jm00384a017 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 3820229 | 10.1021/jm00386a022 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 19716306 | 10.1016/j.bmc.2009.08.005 | Seed linoleate 13S-lipoxygenase-1 | 1 |
Data from ChEMBL 36 via Core Engine