Compound Detail
CHEMBL1349147
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Basic Information
| ChEMBL ID | CHEMBL1349147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTGUPMZDWXYAEP-YFHOEESVSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.09
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.84
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.9 | 4.9 | 12475.0 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 4.84 | 4.84 | 14449.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.45 | 4.23 | 35291.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12475.0 | nM | 4.9 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
| Troponin, cardiac muscle | EC50 | = | 14449.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 35291.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| Unchecked | EC50 | = | 96741.0 | nM | 4.01 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
Data from ChEMBL 36 via Core Engine