Compound Detail
CHEMBL1388543
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CCN1CCN(CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL1388543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFZVDKIKDGHATA-JBASAIQMSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
5.04
ALogP
5
HBA
1
HBD
55.9
PSA (Ų)
0.41
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.89
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.89 | 5.35 | 1288.0 | 3 |
| HEK293 CHEMBL614818 | IC50 | 4.7 | 4.7 | 20172.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.63 | 4.63 | 23152.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1288.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 8210.0 | nM | 5.09 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | EC50 | = | 8450.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| HEK293 | IC50 | = | 20172.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Insulin-degrading enzyme | EC50 | = | 23152.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
Data from ChEMBL 36 via Core Engine