Compound Detail
CHEMBL4105093
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Basic Information
| ChEMBL ID | CHEMBL4105093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFBHVCPNQLQPEI-VFNWGFHPSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
2.18
ALogP
5
HBA
2
HBD
94.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal peptide peptidase-like 2A CHEMBL4105833 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Rattus norvegicus |
| CL | - | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal peptide peptidase-like 2A | IC50 | = | 1020.0 | nM | 5.99 | Inhibition of human SPPL2a expressed in HEK293 cells using GAL4-VP16 fusedTNFalp... | 29359565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29359565 | 10.1021/acs.jmedchem.7b01371 | Signal peptide peptidase-like 2A | 2 |
| 29359565 | 10.1021/acs.jmedchem.7b01371 | Unchecked | 1 |
| 29359565 | 10.1021/acs.jmedchem.7b01371 | No relevant target | 1 |
| 29359565 | 10.1021/acs.jmedchem.7b01371 | Rattus norvegicus | 1 |
| 29359565 | 10.1021/acs.jmedchem.7b01371 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine