Compound Detail
CHEMBL5095023
LS-104 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL5095023 |
| Name | LS-104 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | DTCCYSMPUUYHOF-LHQXNBGVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
2
Known Names
1
Mechanisms
Molecular Properties
320.4
MW (Da)
2.88
ALogP
4
HBA
3
HBD
93.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 inhibitor | INHIBITOR | Tyrosine-protein kinase JAK2 | ✓ | ✓ |
Activity Summary
IC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of human MAO-B using kynuramine as substrate incubated for 30 mins by... | 36116233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36116233 | 10.1016/j.ejmech.2022.114740 | SH-SY5Y | 7 |
| 36116233 | 10.1016/j.ejmech.2022.114740 | Catechol O-methyltransferase | 3 |
| 36116233 | 10.1016/j.ejmech.2022.114740 | No relevant target | 2 |
| 36116233 | 10.1016/j.ejmech.2022.114740 | Amine oxidase [flavin-containing] A | 1 |
| 36116233 | 10.1016/j.ejmech.2022.114740 | Amine oxidase [flavin-containing] B | 1 |
| 36116233 | 10.1016/j.ejmech.2022.114740 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine