Compound Detail
CHEMBL1994635
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Basic Information
| ChEMBL ID | CHEMBL1994635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAMFHXKQMYJFCD-CXUHLZMHSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.75
ALogP
4
HBA
1
HBD
45.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.79
EC50 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.79 | 5.79 | 1638.7 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.74 | 5.74 | 1802.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.42 | 5.205 | 3800.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.94 | 4.94 | 11487.0 | 1 |
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 | = | 1638.73 | nM | 5.79 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Luciferin 4-monooxygenase | EC50 | = | 1802.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 3800.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 10200.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| Unchecked | EC50 | = | 11487.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine