Compound Detail
CHEMBL451860
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 | CHEMBL451860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTXSROVNGICYFE-ZDUSSCGKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
4.55
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.45 | 4.45 | 35800.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.43 | 4.43 | 37200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 35800.0 | nM | 4.45 | Inhibition of Src (unknown origin) | - |
| MDA-MB-231 | IC50 | = | 37200.0 | nM | 4.43 | Antimigratory activity against human MDA-MB-231 cells after 24 hrs by wound-heal... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20185B | NON-PROTEIN TARGET | 14 |
| - | 10.1039/C2MD20185B | MDA-MB-231 | 5 |
| 12444675 | 10.1021/np020213x | Staphylococcus aureus | 4 |
| 12444675 | 10.1021/np020213x | Plasmodium falciparum | 2 |
| - | 10.1039/C2MD20185B | MCF7 | 2 |
| 33038665 | 10.1016/j.bmc.2020.115792 | Plasmodium falciparum | 2 |
| 12444675 | 10.1021/np020213x | Cryptococcus neoformans | 2 |
| 12444675 | 10.1021/np020213x | Candida albicans | 2 |
| 12444675 | 10.1021/np020213x | Mycobacterium tuberculosis | 1 |
| 12762791 | 10.1021/np0204038 | HL-60 | 1 |
| - | 10.1021/np50053a042 | P388 | 1 |
| 10217711 | 10.1021/np980491p | P388 | 1 |
| 10217711 | 10.1021/np980491p | NON-PROTEIN TARGET | 1 |
| 10217711 | 10.1021/np980491p | A549 | 1 |
| 10217711 | 10.1021/np980491p | HT-29 | 1 |
| - | 10.1039/C2MD20185B | Proto-oncogene tyrosine-protein kinase Src | 1 |
| - | 10.1021/np50053a042 | Candida albicans | 1 |
| - | 10.1039/C2MD20185B | MDA-MB-468 | 1 |
| - | 10.1021/np50053a042 | NON-PROTEIN TARGET | 1 |
| - | 10.1021/np50053a042 | HCT-8 | 1 |
Data from ChEMBL 36 via Core Engine