Compound Detail
CHEMBL1436090
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CCCn1c(N)c(N(CCOC)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL1436090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULBXGWVLZPZFJY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
-0.17
ALogP
10
HBA
2
HBD
157.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 4.79 | 4.79 | 16166.0 | 1 |
| Protein Rev CHEMBL1293282 | IC50 | 4.4 | 4.4 | 39575.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 16166.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Protein Rev | IC50 | = | 39575.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... | - |
Data from ChEMBL 36 via Core Engine