Compound Detail
CHEMBL2002995
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Basic Information
| ChEMBL ID | CHEMBL2002995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PITNOTVFPPNUQJ-ZMOGYAJESA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.3
MW (Da)
3.84
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9c2 CHEMBL614576 | IC50 | 4.89 | 4.89 | 12812.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.6567 | 15400.0 | 3 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.6 | 4.6 | 25100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9c2 | IC50 | = | 12812.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 15400.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 24668.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 25100.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
| Unchecked | IC50 | = | 28300.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine