Compound Detail
CHEMBL354496
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Basic Information
| ChEMBL ID | CHEMBL354496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFLJXWFYZQGKAQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.18
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| RBL-2H3 CHEMBL614632 | IC50 | 4.01 | 4.01 | 97500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 26000.0 | nM | 4.58 | Ability to inhibit protein-tyrosine kinase activity of p56lck (isolated from bov... | 1995903 |
| RBL-2H3 | IC50 | = | 97500.0 | nM | 4.01 | Antihistaminic activity in rat RBL2H3 cells assessed as inhibition of DNP-BSA-in... | 14510616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995903 | 10.1021/jm00106a047 | Tyrosine-protein kinase Lck | 1 |
| 1800636 | 10.1021/np50077a018 | Unchecked | 1 |
| 1479375 | 10.1021/np50089a001 | Tyrosine-protein kinase Lck | 1 |
| 14510616 | 10.1021/np030020p | RBL-2H3 | 1 |
| 14510616 | 10.1021/np030020p | ADMET | 1 |
Data from ChEMBL 36 via Core Engine