Compound Detail
CHEMBL494255
AROMATICIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL494255 |
| Name | AROMATICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSSDUQKWVVZIGP-SCGWIAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.28
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.9
EC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | EC50 | 6.23 | 6.23 | 590.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.9 | 5.6767 | 1250.0 | 3 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.24 | 5.24 | 5710.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | EC50 | = | 590.0 | nM | 6.23 | PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... | - |
| Unchecked | IC50 | = | 1260.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 1250.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| X-box-binding protein 1 | IC50 | = | 5710.0 | nM | 5.24 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Unchecked | IC50 | = | 5840.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| RAW264.7 | IC50 | = | 8200.0 | nM | 5.09 | Antiinflammatory action in mouse RAW264.7 cells assessed as inhibition of LPS-in... | 21894898 |
| DNA damage-inducible transcript 3 protein | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17336532 | 10.1016/j.bmc.2007.02.005 | KB | 2 |
| 21894898 | 10.1021/np200319x | RAW264.7 | 2 |
| 18329753 | 10.1016/j.ejmech.2008.01.003 | KB | 1 |
| - | 10.1021/np50005a002 | KB | 1 |
Data from ChEMBL 36 via Core Engine