Compound Detail
CHEMBL1498999
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Basic Information
| ChEMBL ID | CHEMBL1498999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLBAIDWNPBICRH-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.16
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.3
EC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 5.3 | 5.3 | 5056.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.14 | 5.055 | 7227.0 | 2 |
| Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7 CHEMBL4879430 | IC50 | 4.96 | 4.96 | 10970.0 | 1 |
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | IC50 | 4.79 | 4.79 | 16120.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.52 | 4.52 | 30294.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 5056.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 inhibition. (C... | - |
| Unchecked | EC50 | = | 7227.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 10703.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7 | IC50 | = | 10970.0 | nM | 4.96 | Inhibition of N-terminal His-tagged human JMJD7 (1 to 316 residues) expressed in... | 34048880 |
| Signal transducer and activator of transcription 1-alpha/beta | IC50 | = | 16120.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Dose response counterscreen assay for STAT3 inhibitors: cell-b... | - |
| Estrogen receptor | IC50 | = | 30294.34 | nM | 4.52 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34048880 | 10.1016/j.bmcl.2021.128139 | Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7 | 1 |
Data from ChEMBL 36 via Core Engine