Compound Detail
CHEMBL56163
PRISTIMEROL Enter ChEMBL ID:
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COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL56163 |
| Name | PRISTIMEROL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAPWCQHXCIXKLV-WXPPGMDDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
466.7
MW (Da)
6.73
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 260.0 | nM | 6.58 | Inhibitory activity against LPS-stimulated 1L-1beta release by cultured human mo... | 9873452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873452 | 10.1016/s0960-894x(98)00331-x | ADMET | 1 |
| 11678653 | 10.1021/np010123c | DNA topoisomerase 2-alpha | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
Data from ChEMBL 36 via Core Engine