Compound Detail
CHEMBL1631209
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Basic Information
| ChEMBL ID | CHEMBL1631209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHPRWTYVMCLEAL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.05
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Major prion protein CHEMBL1293203 | EC50 | 5.14 | 5.14 | 7180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Major prion protein | EC50 | = | 7180.0 | nM | 5.14 | Binding affinity to Syrian hamster PrPC assessed as inhibition of PrPC protein c... | 28951092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28951092 | 10.1016/j.bmc.2017.09.024 | Major prion protein | 2 |
| 19015328 | 10.1128/aac.01112-08 | Major prion protein | 1 |
| 24188023 | 10.1021/jm401394u | Protein mono-ADP-ribosyltransferase PARP8 | 1 |
| 24188023 | 10.1021/jm401394u | Unchecked | 1 |
| 24188023 | 10.1021/jm401394u | Poly [ADP-ribose] polymerase 2 | 1 |
| 24188023 | 10.1021/jm401394u | Poly [ADP-ribose] polymerase 1 | 1 |
| 24188023 | 10.1021/jm401394u | Protein mono-ADP-ribosyltransferase PARP3 | 1 |
Data from ChEMBL 36 via Core Engine