Compound Detail
CHEMBL1533561
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Basic Information
| ChEMBL ID | CHEMBL1533561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKBRBFUSDADDDS-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1623537 |
| Active Moiety | CHEMBL1623537 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.81
ALogP
7
HBA
1
HBD
72.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.52 | 5.52 | 3010.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.36 | 5.36 | 4322.6 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.76 | 4.76 | 17440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 3010.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 4322.6 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Envelope glycoprotein gp160 | IC50 | = | 13800.0 | nM | 4.86 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Unchecked | IC50 | = | 17440.0 | nM | 4.76 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
Data from ChEMBL 36 via Core Engine