Compound Detail
CHEMBL5813899
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CCc1cnc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)s1
Basic Information
| ChEMBL ID | CHEMBL5813899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBGMOTDDWXPZRX-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
592.5
MW (Da)
5.75
ALogP
7
HBA
2
HBD
105.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | IC50 | = | 0.5 | nM | 9.3 | MGAT LCMS Assay: The MGAT enzyme reactions were performed in Corning FALCON® 96-... | - |
Data from ChEMBL 36 via Core Engine