Compound Detail
CHEMBL5095099
EXARAFENIB 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N[C@H](C)CO)nc(N2CCOCC2)c1
Basic Information
| ChEMBL ID | CHEMBL5095099 |
| Name | EXARAFENIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GZMYLSJUNSCMTD-MOPGFXCFSA-N |
5
Targets
16
Activities
2
Assay Types
17
PK Parameters
10
Publications
2
Known Names
1
Indications
Molecular Properties
521.6
MW (Da)
4.49
ALogP
6
HBA
3
HBD
90.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Neoplasms
Activity Summary
EC50 12 meas. best 8.1
IC50 4 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Serine/threonine-protein kinase A-Raf CHEMBL1169596 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.1 | 7.02 | 8.0 | 12 |
| Epithelial discoidin domain-containing receptor 1 CHEMBL5319 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 8710.39 | ng.hr.mL-1 | Mus musculus |
| AUC | 7823.7 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 16168.98 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 8.5 | mL.min-1.kg-1 | Mus musculus |
| CL | 17.4 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 11.7 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 7000.0 | nM | Mus musculus |
| Cmax | 1400.0 | nM | Rattus norvegicus |
| Cmax | 4800.0 | nM | Canis lupus familiaris |
| F | 44.0 | % | Mus musculus |
| F | 82.0 | % | Rattus norvegicus |
| F | 96.0 | % | Canis lupus familiaris |
| Fu | 0.067 | - | Homo sapiens |
| Fu | 0.047 | - | Canis lupus familiaris |
| Fu | 0.063 | - | Rattus norvegicus |
| Fu | 0.034 | - | Mus musculus |
| T1/2 | 8.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38230963 | 10.1021/acs.jmedchem.3c01830 | ADMET | 30 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | Unchecked | 21 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | No relevant target | 5 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | BXPC-3 | 4 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | A-375 | 3 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | SK-MEL-2 | 3 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | Serine/threonine-protein kinase B-raf | 1 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | Serine/threonine-protein kinase A-Raf | 1 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | Epithelial discoidin domain-containing receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine