Compound Detail
CHEMBL1449136
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Basic Information
| ChEMBL ID | CHEMBL1449136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFSGHGHBHNFUDB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
2.33
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9c2 CHEMBL614576 | IC50 | 5.28 | 5.28 | 5261.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9c2 | IC50 | = | 5261.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine