Compound Detail
CHEMBL118266
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL118266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITJUUTBLPGKSOG-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
3.27
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Kd 1 meas. best 2.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 3.52 | 3.52 | 305000.0 | 1 |
| Protein polybromo-1 CHEMBL1795184 | Kd | 2.86 | 2.86 | 1387000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of aromatase (unknown origin) | 29525337 |
| Homo sapiens | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibitory activity against superoxide production from human neutrophil... | 7830278 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) e... | 31910010 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) e... | 31910010 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 305000.0 | nM | 3.52 | Inhibition of Axl (unknown origin) using 5'FAM labeled KKKKEEIYFFF-NH2 peptide a... | 34600239 |
| Protein polybromo-1 | Kd | = | 1387000.0 | nM | 2.86 | Binding affinity to 15N-labeled recombinant human PBRM1 BD2 transfected in Esche... | 36227159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36227159 | 10.1021/acs.jmedchem.2c00864 | Protein polybromo-1 | 2 |
| 7830278 | 10.1021/jm00002a017 | Homo sapiens | 1 |
| 29525337 | 10.1016/j.bmc.2018.02.048 | Aromatase | 1 |
| 31910010 | 10.1021/acs.jmedchem.9b01582 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 31910010 | 10.1021/acs.jmedchem.9b01582 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 34600239 | 10.1016/j.bmc.2021.116437 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine