Compound Detail
CHEMBL3693938
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N[C@H]1CCN(C(=O)CN(C(=O)/C=C/c2ccccc2)c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL3693938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYJKNXHZVFQDKO-PZVJUEDKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.5
MW (Da)
4.86
ALogP
4
HBA
1
HBD
75.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,3-beta-glucan synthase CHEMBL2364673 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| 1,3-beta-glucan synthase CHEMBL2364674 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1,3-beta-glucan synthase | IC50 | = | 8500.0 | nM | 5.07 | Glucan Synthase Assay: The glucan synthase assay follows the incorporation of tr... | - |
| 1,3-beta-glucan synthase | IC50 | = | 15600.0 | nM | 4.81 | Glucan Synthase Assay: The glucan synthase assay follows the incorporation of tr... | - |
Data from ChEMBL 36 via Core Engine