Compound Detail
CHEMBL3693942
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N[C@H]1CCN(C(=O)CN(CC(=O)NCc2cccc(Cl)c2)c2ccc(Oc3ccccc3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL3693942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCGTVJOAENIZRB-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.0
MW (Da)
3.81
ALogP
5
HBA
2
HBD
87.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,3-beta-glucan synthase CHEMBL2364674 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| 1,3-beta-glucan synthase CHEMBL2364673 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1,3-beta-glucan synthase | IC50 | = | 5600.0 | nM | 5.25 | Glucan Synthase Assay: The glucan synthase assay follows the incorporation of tr... | - |
| 1,3-beta-glucan synthase | IC50 | = | 8000.0 | nM | 5.1 | Glucan Synthase Assay: The glucan synthase assay follows the incorporation of tr... | - |
Data from ChEMBL 36 via Core Engine