Compound Detail
CHEMBL1584044
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Basic Information
| ChEMBL ID | CHEMBL1584044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTYUIEDCERYPNJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL328834 |
| Active Moiety | CHEMBL328834 |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
-2.28
ALogP
9
HBA
5
HBD
169.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.76
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.76 | 6.36 | 172.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| BJ CHEMBL614358 | EC50 | 6.06 | 5.9633 | 874.0 | 3 |
| Galanin receptor type 3 CHEMBL2731 | IC50 | 5.88 | 5.88 | 1312.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 172.0 | nM | 6.76 | PubChem BioAssay. Leishmania major promastigote EC50 determinations. (Class of... | - |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| BJ | EC50 | = | 874.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 1090.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 1186.0 | nM | 5.93 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 1270.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Galanin receptor type 3 | IC50 | = | 1312.0 | nM | 5.88 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
Data from ChEMBL 36 via Core Engine