Compound Detail
CHEMBL1421172
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1421172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SULBKQYHOFOKGZ-RZYXTZOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
2.26
ALogP
4
HBA
1
HBD
62.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.14 | 6.14 | 721.1 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.66 | 5.66 | 2179.4 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.51 | 5.51 | 3058.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.47 | 5.47 | 3390.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.29 | 5.29 | 5140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 721.08 | nM | 6.14 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2179.4 | nM | 5.66 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| No relevant target | IC50 | = | 3058.0 | nM | 5.51 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 3390.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Envelope glycoprotein gp160 | IC50 | = | 5140.0 | nM | 5.29 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine