Compound Detail
CHEMBL299420
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Basic Information
| ChEMBL ID | CHEMBL299420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEFJQIDDEAULHB-QWWZWVQMSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
-1.08
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.85
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Olfactory receptor 51E2 CHEMBL4523454 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Olfactory receptor 51E2 | EC50 | = | 14000.0 | nM | 4.85 | Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667225 | 10.1021/jm030976x | Solute carrier family 15 member 1 | 1 |
| 3137344 | 10.1021/jm00117a017 | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | 1 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 1 |
Data from ChEMBL 36 via Core Engine