Compound Detail
CHEMBL5436851
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Basic Information
| ChEMBL ID | CHEMBL5436851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPBBEAIDXLVCLZ-ZWKOTPCHSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.45
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LSD1/CoREST complex CHEMBL3137262 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LSD1/CoREST complex | IC50 | = | 270.0 | nM | 6.57 | Inhibition of recombinant human LSD1 (172 to 852 residues)/His-tagged human CoRE... | 35749987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35749987 | 10.1016/j.ejmech.2022.114522 | ADMET | 2 |
| 35749987 | 10.1016/j.ejmech.2022.114522 | LSD1/CoREST complex | 1 |
Data from ChEMBL 36 via Core Engine