Compound Detail
CHEMBL376584
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Basic Information
| ChEMBL ID | CHEMBL376584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXGFKEGXFBHFJS-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.24
ALogP
5
HBA
3
HBD
108.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.99 | 4.915 | 10200.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10200.0 | nM | 4.99 | Cytotoxicity against human P-glycoprotein-expressing KBV1 cells after 72 hrs by ... | 19397322 |
| NON-PROTEIN TARGET | IC50 | = | 10232.93 | nM | 4.99 | Cytotoxicity against human P-glycoprotein-expressing KBV1 cells after 72 hrs by ... | 19397322 |
| NON-PROTEIN TARGET | IC50 | = | 14500.0 | nM | 4.84 | Cytotoxicity against human P-gp-negative KB-3-1 cells after 72 hrs by MTT assay | 19397322 |
| NON-PROTEIN TARGET | IC50 | = | 14454.4 | nM | 4.84 | Cytotoxicity against human P-gp-negative KB-3-1 cells after 72 hrs by MTT assay | 19397322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9745-7 | Unchecked | 5 |
| 19397322 | 10.1021/jm800861c | NON-PROTEIN TARGET | 4 |
| - | 10.1007/s00044-011-9745-7 | Lemna aequinoctialis | 3 |
| 17561405 | 10.1016/j.bmc.2007.05.063 | Mycobacterium tuberculosis | 1 |
| 19397322 | 10.1021/jm800861c | Unchecked | 1 |
| - | 10.1007/s00044-011-9745-7 | Nakaseomyces glabratus | 1 |
| - | 10.1007/s00044-011-9745-7 | Fusarium solani | 1 |
| - | 10.1007/s00044-011-9745-7 | Microsporum canis | 1 |
| - | 10.1007/s00044-011-9745-7 | Aspergillus flavus | 1 |
| - | 10.1007/s00044-011-9745-7 | Candida albicans | 1 |
| - | 10.1007/s00044-011-9745-7 | Artemia salina | 1 |
Data from ChEMBL 36 via Core Engine