Compound Detail
CHEMBL419952
OCTIMIBATE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL419952 |
| Name | OCTIMIBATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JJNUVQIGQRFZAC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
2
Known Names
Molecular Properties
454.6
MW (Da)
7.01
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1020.0 | nM | 5.99 | Inhibition of ADP-induced human platelet aggregation. | 1404230 |
| Homo sapiens | IC50 | = | 1020.0 | nM | 5.99 | In vitro inhibition of 5.86 uM ADP-induced human platelet aggregation in platele... | 7504734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1404230 | 10.1021/jm00097a006 | Unchecked | 1 |
| 7504734 | 10.1021/jm00076a018 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine