Compound Detail
CHEMBL3917975
CAMBRITAXESTAT 🧪 Phase II
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🧪 Phase II
C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3917975 |
| Name | CAMBRITAXESTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HXYXHSDYBDFOFO-INIZCTEOSA-N |
2
Targets
8
Activities
2
Assay Types
19
PK Parameters
3
Publications
4
Known Names
1
Indications
Molecular Properties
502.9
MW (Da)
5.84
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Neoplasms
Activity Summary
EC50 5 meas. best 8.1
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 9.0 | 8.09 | 1.0 | 3 |
| Mus musculus CHEMBL375 | EC50 | 8.1 | 7.7125 | 8.0 | 4 |
| Autotaxin CHEMBL3691 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1609.34 | ng.hr.mL-1 | Mus musculus |
| AUC | 7644.38 | ng.hr.mL-1 | Mus musculus |
| AUC | 29823.16 | ng.hr.mL-1 | Mus musculus |
| CL | 41.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 19.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 3800.0 | nM | Mus musculus |
| Cmax | 10900.0 | nM | Mus musculus |
| Cmax | 18100.0 | nM | Mus musculus |
| F | 41.0 | % | Mus musculus |
| F | 64.0 | % | Mus musculus |
| F | 75.0 | % | Mus musculus |
| F | 28.0 | % | Rattus norvegicus |
| Fu | 0.018 | - | Mus musculus |
| Fu | 0.02 | - | Rattus norvegicus |
| T1/2 | 1.0 | hr | Mus musculus |
| T1/2 | 1.4 | hr | Mus musculus |
| T1/2 | 0.9 | hr | Mus musculus |
| T1/2 | 1.3 | hr | Mus musculus |
| T1/2 | 5.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27780639 | 10.1016/j.bmcl.2016.10.036 | ADMET | 23 |
| 27780639 | 10.1016/j.bmcl.2016.10.036 | Mus musculus | 13 |
| 27780639 | 10.1016/j.bmcl.2016.10.036 | Autotaxin | 5 |
Data from ChEMBL 36 via Core Engine