Compound Detail
CHEMBL1413866
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 | CHEMBL1413866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQPVKPUSPFHSSH-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.16
ALogP
10
HBA
3
HBD
132.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.265 | 4752.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.6 | 4.6 | 25286.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.02 | 4.02 | 96489.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 2300.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Unchecked | IC50 | = | 4752.0 | nM | 5.32 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 6131.0 | nM | 5.21 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 25286.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Bcl-2-like protein 1 | IC50 | = | 96489.0 | nM | 4.02 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
Data from ChEMBL 36 via Core Engine