Compound Detail
CHEMBL382590
ANILINOQUINAZOLINE1 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL382590 |
| Name | ANILINOQUINAZOLINE1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMYVCWQAHSYYOO-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.64
ALogP
6
HBA
2
HBD
85.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.62 | 6.26 | 240.0 | 2 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.51 | 6.4433 | 310.0 | 3 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 240.0 | nM | 6.62 | Inhibition of Aurora kinase B | 18077363 |
| Aurora kinase A | IC50 | = | 310.0 | nM | 6.51 | Inhibition of Aurora kinase A | 18077363 |
| Aurora kinase A | IC50 | = | 393.0 | nM | 6.41 | Inhibitory activity against Aurora A | 16337122 |
| Aurora kinase A | IC50 | = | 393.0 | nM | 6.41 | Inhibition of Aurora A | 16884290 |
| MCF7 | IC50 | = | 1250.0 | nM | 5.9 | Antiproliferative activity against MCF7 cell line | 16337122 |
| Aurora kinase B | IC50 | = | 1250.0 | nM | 5.9 | Inhibition of Aurora kinase B in MCF7 cells | 18077363 |
| Unchecked | IC50 | = | 1250.0 | nM | 5.9 | Inhibition of Aurora kinase A in MCF7 cells | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Fyn | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform gamma-3 | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase ABL2 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 2 |
| 23398362 | 10.1042/bj20121418 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine