Compound Detail
CHEMBL1485551
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Basic Information
| ChEMBL ID | CHEMBL1485551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKFCFIJTROTFCH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1621933 |
| Active Moiety | CHEMBL1621933 |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
4.98
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.65
EC50 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.87 | 4.87 | 13440.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.65 | 4.43 | 22517.0 | 3 |
| HEK293 CHEMBL614818 | IC50 | 4.59 | 4.59 | 25411.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.53 | 4.53 | 29467.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 13440.0 | nM | 4.87 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 22517.0 | nM | 4.65 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| HEK293 | IC50 | = | 25411.0 | nM | 4.59 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Insulin-degrading enzyme | EC50 | = | 29467.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| Unchecked | IC50 | = | 32780.0 | nM | 4.48 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 69040.0 | nM | 4.16 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine