Compound Detail
CHEMBL3692206
TAS-119 Phase I
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Phase I
Cc1cc(Nc2nc(CC3(C(=O)O)CCN(C(=O)c4cccc(Cl)c4Cl)CC3)ccc2F)n[nH]1
Basic Information
| ChEMBL ID | CHEMBL3692206 |
| Name | TAS-119 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | PLAVWQHGBMTMFR-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
2
Known Names
1
Indications
1
Mechanisms
Molecular Properties
506.4
MW (Da)
4.85
ALogP
5
HBA
3
HBD
111.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serine/threonine-protein kinase Aurora-A inhibitor | INHIBITOR | Aurora kinase A | ✓ | ✓ |
Indications
Neoplasms
Activity Summary
IC50 6 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 9.4 | 9.4 | 0.4 | 3 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.85 | 6.85 | 140.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 0.4 | nM | 9.4 | Inhibitory Assay: An inhibitory activity of the above compound in-vitro against ... | - |
| Aurora kinase A | IC50 | = | 0.4 | nM | 9.4 | Kinase Assay: For in vitro method for measuring the inhibitory activity of the a... | - |
| Aurora kinase A | IC50 | = | 0.4 | nM | 9.4 | Aurora A Inhibition Assay: For in vitro method for measuring the inhibitory acti... | - |
| Aurora kinase B | IC50 | = | 140.0 | nM | 6.85 | Inhibitory Assay: The method for measuring the in-vitro inhibitory activity of a... | - |
| Aurora kinase B | IC50 | = | 140.0 | nM | 6.85 | Kinase Assay: The in vitro method for measuring the inhibitory activity of the t... | - |
| Aurora kinase B | IC50 | = | 140.0 | nM | 6.85 | Aurora B Inhibition Assay: The in vitro method for measuring the inhibitory acti... | - |
Data from ChEMBL 36 via Core Engine