Compound Detail
CHEMBL1442537
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Basic Information
| ChEMBL ID | CHEMBL1442537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYVAMSONWXATIR-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
5.04
ALogP
8
HBA
2
HBD
93.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.21
EC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.21 | 6.21 | 609.7 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.8 | 5.8 | 1566.5 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.22 | 5.22 | 5970.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.04 | 5.04 | 9040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 609.68 | nM | 6.21 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1566.48 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 5970.0 | nM | 5.22 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| Unchecked | EC50 | = | 9040.0 | nM | 5.04 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
Data from ChEMBL 36 via Core Engine