Compound Detail
CHEMBL5188045
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Basic Information
| ChEMBL ID | CHEMBL5188045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFMSEVITEUIVHU-GFCCVEGCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
3.04
ALogP
7
HBA
2
HBD
80.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 9.7 | 9.32 | 0.2 | 3 |
| Unchecked CHEMBL612545 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 0.2 | nM | 9.7 | Inhibition of wild type TRKA (unknown origin) using TK-sub-biotin peptide as sub... | 35961071 |
| High affinity nerve growth factor receptor | IC50 | = | 0.5 | nM | 9.3 | Inhibition of TRKA F589L mutant (unknown origin) using TK-sub-biotin peptide as ... | 35961071 |
| High affinity nerve growth factor receptor | IC50 | = | 1.1 | nM | 8.96 | Inhibition of TRKA G595R mutant (unknown origin) using TK-sub-biotin peptide as ... | 35961071 |
| Unchecked | IC50 | = | 5.2 | nM | 8.28 | Inhibition of TRKA G667A mutant (unknown origin) using TK-sub-biotin peptide as ... | 35961071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35961071 | 10.1016/j.ejmech.2022.114654 | High affinity nerve growth factor receptor | 3 |
| 35961071 | 10.1016/j.ejmech.2022.114654 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine