Compound Detail
CHEMBL3192911
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C=CCn1/c(=N/C(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(S(N)(=O)=O)ccc21
Basic Information
| ChEMBL ID | CHEMBL3192911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMMOPPTXWQARSA-PNHLSOANSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
4.55
ALogP
7
HBA
1
HBD
107.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.49
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | EC50 | = | 3259.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response ass... | - |
| Unchecked | EC50 | = | 25293.0 | nM | 4.6 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 30147.0 | nM | 4.52 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine