Compound Detail
CHEMBL1543965
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 | CHEMBL1543965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDUUUIHMOYDWLN-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
2.31
ALogP
8
HBA
2
HBD
96.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.73
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 5.73 | 5.73 | 1845.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4930.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.21 | 5.21 | 6158.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.67 | 4.67 | 21500.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.16 | 4.16 | 68732.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartyl aminopeptidase | IC50 | = | 1845.0 | nM | 5.73 | PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay fo... | - |
| Unchecked | IC50 | = | 4930.0 | nM | 5.31 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 6158.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 21500.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Bcl-2-like protein 1 | IC50 | = | 68732.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
Data from ChEMBL 36 via Core Engine