Compound Detail
CHEMBL1576140
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Basic Information
| ChEMBL ID | CHEMBL1576140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBUCPNITJSNYNF-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
2.91
ALogP
8
HBA
2
HBD
101.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.27 | 2385.0 | 3 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.54 | 5.54 | 2920.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.03 | 5.03 | 9373.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.65 | 4.65 | 22200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2385.0 | nM | 5.62 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 2920.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Unchecked | IC50 | = | 7597.0 | nM | 5.12 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 8610.0 | nM | 5.07 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 9373.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 22200.0 | nM | 4.65 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
Data from ChEMBL 36 via Core Engine