Compound Detail
CHEMBL4448598
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Basic Information
| ChEMBL ID | CHEMBL4448598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILOFWCAZDNILKY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
1.28
ALogP
7
HBA
2
HBD
108.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1394.78 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 660.0 | nM | Rattus norvegicus |
| F | 23.0 | % | Rattus norvegicus |
| T1/2 | 1.14 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 2.2 | nM | 8.66 | Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA lev... | 27660691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27660691 | 10.1021/acsmedchemlett.6b00207 | ADMET | 5 |
| 27660691 | 10.1021/acsmedchemlett.6b00207 | Autotaxin | 3 |
| 27660691 | 10.1021/acsmedchemlett.6b00207 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine