Compound Detail
CHEMBL1445297
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Basic Information
| ChEMBL ID | CHEMBL1445297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYUBFGDENWXBAM-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
4.34
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.68
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.68 | 5.8767 | 208.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.41 | 6.41 | 388.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.37 | 6.37 | 430.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 208.0 | nM | 6.68 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 388.0 | nM | 6.41 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Heat shock factor protein 1 | EC50 | = | 430.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 840.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| BJ | EC50 | = | 990.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| BJ | EC50 | = | 11125.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine