Compound Detail
CHEMBL56897
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C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)/C=C/C(O)CCCC(C)C/C=C/C3C1O
Basic Information
| ChEMBL ID | CHEMBL56897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBOGMAARMMDZGR-LFKALUBKSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
3.49
ALogP
5
HBA
3
HBD
95.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
EC50 1 meas. best 4.94
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 611.0 | nM | 6.21 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 950.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | EC50 | = | 11500.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... | - |
Data from ChEMBL 36 via Core Engine