Compound Detail
CHEMBL4297299
KX2-361 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4297299 |
| Name | KX2-361 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | CMKKPJNMYLOUCE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
14
Publications
3
Known Names
1
Indications
Molecular Properties
405.5
MW (Da)
3.58
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3074 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.17 | 4.17 | 67000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 40.0 | % | Mus musculus |
| F | 40.0 | % | Mus musculus |
| F | 40.0 | % | Mus musculus |
| T1/2 | 2.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 60.0 | nM | 7.22 | Inhibition of Src autophosphorylation in mouse GL261 cells | 29617135 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 67000.0 | nM | 4.17 | Inhibition of Src (unknown origin) | 29617135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29617135 | 10.1021/acs.jmedchem.8b00164 | ADMET | 4 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | Unchecked | 2 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | GL261 | 1 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | U138-MG | 1 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | U-118-MG | 1 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | T98G | 1 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | U-87 MG | 1 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | SK-N-FI | 1 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | LN-18 | 1 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | SW1088 | 1 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | SK-N-MC | 1 |
| 29617135 | 10.1021/acs.jmedchem.8b00164 | Daoy | 1 |
| 34101463 | 10.1021/acs.jmedchem.1c00100 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine