Compound Detail
CHEMBL1402807
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Basic Information
| ChEMBL ID | CHEMBL1402807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHGBVIYYXYOQEX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
3.93
ALogP
8
HBA
1
HBD
92.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.24
IC50 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.25 | 5.25 | 5602.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.24 | 5.2 | 5744.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 195.0 | nM | 6.71 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 5602.46 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | EC50 | = | 5744.0 | nM | 5.24 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 6946.0 | nM | 5.16 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine