Compound Detail
CHEMBL383899
ANILINOPYRIMIDINE1 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL383899 |
| Name | ANILINOPYRIMIDINE1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDTDWGQDFJPTPD-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
5.33
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 7.38 | 7.38 | 42.0 | 3 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 6.41 | 6.41 | 386.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.23 | 6.23 | 591.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.05 | 6.05 | 887.0 | 1 |
| Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 42.0 | nM | 7.38 | Inhibition of Aurora-A | 17157005 |
| Aurora kinase A | IC50 | = | 42.0 | nM | 7.38 | Inhibition of Aurora kinase A | 18077363 |
| Aurora kinase A | IC50 | = | 42.0 | nM | 7.38 | Inhibition of Aurora A kinase (unknown origin) | 28918096 |
| Tyrosine-protein kinase Lck | IC50 | = | 131.0 | nM | 6.88 | Inhibition of Lck | 18077363 |
| Cytoplasmic tyrosine-protein kinase BMX | IC50 | = | 386.0 | nM | 6.41 | Inhibition of Bmx | 18077363 |
| Insulin-like growth factor 1 receptor | IC50 | = | 591.0 | nM | 6.23 | Inhibition of IGF1R | 18077363 |
| Tyrosine-protein kinase SYK | IC50 | = | 887.0 | nM | 6.05 | Inhibition of Syk | 18077363 |
| Interferon-induced, double-stranded RNA-activated protein kinase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10... | 21632247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 16 |
| - | 10.6019/CHEMBL5303304 | U2OS | 10 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 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 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 5 | 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 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Mitogen-activated protein kinase 10 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase 4 | 2 |
Data from ChEMBL 36 via Core Engine