Compound Detail
CHEMBL5075174
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Basic Information
| ChEMBL ID | CHEMBL5075174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQDAWOXWBJZZJW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.68
ALogP
5
HBA
3
HBD
88.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 50.0 | mL.min-1.kg-1 | Mus musculus |
| F | - | % | Mus musculus |
| F | 2.0 | % | Mus musculus |
| T1/2 | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 253.0 | nM | 6.6 | Synergistic antiproliferative activity against human A549 cells harboring KRAS m... | 33780623 |
| A-375 | IC50 | = | 405.0 | nM | 6.39 | Antiproliferative activity against human A-375 cells harboring BRAF mutant asses... | 33780623 |
| A549 | IC50 | = | 2700.0 | nM | 5.57 | Antiproliferative activity against human A549 cells harboring KRAS mutant assess... | 33780623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33780623 | 10.1021/acs.jmedchem.0c02085 | ADMET | 6 |
| 33780623 | 10.1021/acs.jmedchem.0c02085 | A549 | 2 |
| 33780623 | 10.1021/acs.jmedchem.0c02085 | No relevant target | 2 |
| 33780623 | 10.1021/acs.jmedchem.0c02085 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 33780623 | 10.1021/acs.jmedchem.0c02085 | Serine/threonine-protein kinase B-raf | 1 |
| 33780623 | 10.1021/acs.jmedchem.0c02085 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine