Compound Detail
CHEMBL278821
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NC[C@H]1O[C@@H](O[C@@H](CNCCCN2CCOCC2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL278821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYGBVZKJXADMAH-KLMPAZRXSA-N |
| Parent Compound | CHEMBL1183084 |
| Active Moiety | CHEMBL1183084 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
-3.71
ALogP
13
HBA
6
HBD
193.8
PSA (Ų)
0.16
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3800.0 | nM | 5.42 | Inhibitory activity against Translocase I | 11934590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11934590 | 10.1016/s0960-894x(02)00109-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine