Compound Detail
CHEMBL3199337
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Basic Information
| ChEMBL ID | CHEMBL3199337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVGULVKGMJHAMD-ZOWTWTJOSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.06
ALogP
8
HBA
3
HBD
105.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.0
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.0 | 4.675 | 10124.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.77 | 4.77 | 16887.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 10124.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 16887.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Unchecked | EC50 | = | 45087.0 | nM | 4.35 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Data from ChEMBL 36 via Core Engine