Compound Detail
CHEMBL1357473
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CC(C)CCN(C(=O)CCCSc1nc2ccccc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL1357473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPMPGAPYHHIDIC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
4.00
ALogP
7
HBA
3
HBD
129.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.5 | 5.5 | 3124.0 | 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 | = | 3124.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine