Compound Detail
CHEMBL1490685
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Basic Information
| ChEMBL ID | CHEMBL1490685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZHXBLBWHKAGOE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.92
ALogP
9
HBA
3
HBD
119.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2413.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.03 | 5.03 | 9337.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.73 | 4.73 | 18800.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.47 | 4.47 | 33898.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.2 | 4.2 | 63255.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2413.0 | nM | 5.62 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 9337.0 | nM | 5.03 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 18800.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 33898.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Bcl-2-like protein 1 | IC50 | = | 63255.0 | nM | 4.2 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
Data from ChEMBL 36 via Core Engine