Compound Detail
CHEMBL5095256
TINLORAFENIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL5095256 |
| Name | TINLORAFENIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VVLVISDSGRHLMB-UHFFFAOYSA-N |
2
Targets
11
Activities
1
Assay Types
23
PK Parameters
7
Publications
4
Known Names
1
Indications
Molecular Properties
456.9
MW (Da)
3.88
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms
Activity Summary
IC50 11 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.57 | 8.307 | 2.7 | 10 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.3 | 4.3 | 49700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 28000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 86000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 176000.0 | ng.hr.mL-1 | Mus musculus |
| CL | 3.7 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 39395.93 | nM | Mus musculus |
| Cmax | 30641.28 | nM | Mus musculus |
| Cmax | 10286.71 | nM | Mus musculus |
| F | 126.0 | % | Mus musculus |
| F | 192.0 | % | Mus musculus |
| F | 130.0 | % | Mus musculus |
| Fu | 0.019 | - | Mus musculus |
| Fu | 0.003 | - | Rattus norvegicus |
| Fu | 0.017 | - | Canis lupus familiaris |
| Fu | 0.011 | - | Macaca fascicularis |
| Fu | 0.009 | - | Homo sapiens |
| Fu | 0.087 | - | Mus musculus |
| Fu | 0.068 | - | Rattus norvegicus |
| Fu | 0.073 | - | Canis lupus familiaris |
| Fu | 0.068 | - | Macaca fascicularis |
| T1/2 | 1.9 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39077892 | 10.1021/acs.jmedchem.4c00998 | ADMET | 76 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | A-375 | 9 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | No relevant target | 5 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | Serine/threonine-protein kinase B-raf | 2 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | Unchecked | 2 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | Cytochrome P450 | 1 |
Data from ChEMBL 36 via Core Engine