Compound Detail
CHEMBL1384172
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Basic Information
| ChEMBL ID | CHEMBL1384172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMCCOZVCDNTTQK-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
5.52
ALogP
6
HBA
0
HBD
78.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.72 | 5.72 | 1888.0 | 1 |
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.42 | 5.245 | 3788.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 5.18 | 5.18 | 6626.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | IC50 | = | 360.0 | nM | 6.44 | PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors u... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 1140.0 | nM | 5.94 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Unchecked | IC50 | = | 1888.0 | nM | 5.72 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 3788.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| No relevant target | IC50 | = | 6626.0 | nM | 5.18 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 8487.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
Data from ChEMBL 36 via Core Engine