Compound Detail
CHEMBL2104419
MINOPAFANT 🧪 Phase II
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🧪 Phase II
CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)OC[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccccc2OC)OC)CC1.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL2104419 |
| Name | MINOPAFANT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IXRMFSBOHHRXSS-YPMTVOEDSA-N |
| Parent Compound | CHEMBL2110618 |
| Active Moiety | CHEMBL2110618 |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
6
Known Names
1
Mechanisms
Molecular Properties
826.1
MW (Da)
9.39
ALogP
9
HBA
1
HBD
136.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Platelet activating factor receptor antagonist | ANTAGONIST | Platelet-activating factor receptor | ✓ | ✓ |
Activity Summary
IC50 5 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.83 | 5.116 | 1495.7 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1495.7 | nM | 5.83 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... | - |
| Unchecked | IC50 | = | 6138.9 | nM | 5.21 | PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 9521.75 | nM | 5.02 | PubChem BioAssay. GLP1 secretion from NCI-H716 cells-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 13818.3 | nM | 4.86 | PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... | - |
| Unchecked | IC50 | = | 21733.72 | nM | 4.66 | PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl... | - |
Data from ChEMBL 36 via Core Engine