Compound Detail
CHEMBL1410381
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Basic Information
| ChEMBL ID | CHEMBL1410381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRJDLIPVEZBXHD-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.44
ALogP
5
HBA
1
HBD
79.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.57
EC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.57 | 5.57 | 2697.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.39 | 4.39 | 41160.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.39 | 4.26 | 40580.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2697.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Unchecked | EC50 | = | 41160.0 | nM | 4.39 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 40580.0 | nM | 4.39 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Unchecked | IC50 | = | 57120.0 | nM | 4.24 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 71470.0 | nM | 4.15 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine