Compound Detail
CHEMBL1429929
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Basic Information
| ChEMBL ID | CHEMBL1429929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAGZAFKDOSGALN-UHFFFAOYSA-N |
13
Targets
17
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.89
ALogP
6
HBA
0
HBD
86.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.8
EC50 8 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.07 | 5.76 | 843.0 | 2 |
| General amino acid permease AGP1 CHEMBL1741178 | EC50 | 6.03 | 6.03 | 941.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.49 | 5.49 | 3230.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.46 | 5.46 | 3492.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.36 | 4.97 | 4400.0 | 4 |
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | IC50 | 4.99 | 4.99 | 10160.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.96 | 4.96 | 11046.0 | 1 |
| HT-1080 CHEMBL614580 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 4.81 | 4.81 | 15540.0 | 1 |
| Nucleic Acid CHEMBL345 | EC50 | 4.8 | 4.8 | 15700.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 4.62 | 4.62 | 24180.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.55 | 4.55 | 28223.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine