Compound Detail
CHEMBL290487
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Basic Information
| ChEMBL ID | CHEMBL290487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEHSPJCWCBQHPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
236.7
MW (Da)
-0.43
ALogP
5
HBA
0
HBD
77.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 9.4 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 3000.0 | nM | 5.52 | In vitro growth inhibition against L1210 murine leukemia cells | 2342050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6325693 | 10.1021/jm00371a019 | Mus musculus | 96 |
| 6325693 | 10.1021/jm00371a019 | Unchecked | 40 |
| 6325693 | 10.1021/jm00371a019 | ADMET | 2 |
| 2342050 | 10.1021/jm00168a003 | ADMET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 2342050 | 10.1021/jm00168a003 | L1210 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine