Compound Detail
CHEMBL1414432
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COCCN(C(=O)COC(=O)c1cc2c(s1)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL1414432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCUWPMXFNNXTOZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
1.55
ALogP
9
HBA
2
HBD
136.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | IC50 | 4.71 | 4.71 | 19681.0 | 1 |
| Genome polyprotein CHEMBL1293305 | IC50 | 4.31 | 4.31 | 48568.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | IC50 | = | 19681.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Genome polyprotein | IC50 | = | 48568.0 | nM | 4.31 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high-throughput dose response assay ... | - |
Data from ChEMBL 36 via Core Engine