Compound Detail
CHEMBL266243
ONO-3708 Enter ChEMBL ID:
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CC1(C)[C@H]2C[C@H](NC(=O)[C@H](O)C3CCCC3)[C@@H](C/C=C\CCCC(=O)O)[C@@H]1C2
Basic Information
| ChEMBL ID | CHEMBL266243 |
| Name | ONO-3708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXHUZJPIRVLMHY-AZPSIHDESA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.6
MW (Da)
3.91
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 8.43 | 7.855 | 3.7 | 4 |
| Homo sapiens CHEMBL372 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 3.7 | nM | 8.43 | Inhibition of rat washed platelet aggregation induced by 4 ug/mL of collagen | 2970551 |
| Rattus norvegicus | IC50 | = | 3.7 | nM | 8.43 | Inhibitory activity against aggregation of rat washed platelets (induced by 4 ug... | 2137879 |
| Rattus norvegicus | IC50 | = | 52.6 | nM | 7.28 | Inhibitory activity against rat thoracic aorta contraction induced by 30 nM U-46... | 2970551 |
| Rattus norvegicus | IC50 | = | 52.6 | nM | 7.28 | Inhibitory activity against rat thoracic aorta(induced by 30 nM of U-46619) | 2137879 |
| Homo sapiens | IC50 | = | 900.0 | nM | 6.05 | Inhibitory activity against aggregation of human platelet-rich plasma(induced by... | 2137879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2970551 | 10.1021/jm00117a028 | Rattus norvegicus | 2 |
| 2137879 | 10.1021/jm00165a022 | Rattus norvegicus | 2 |
| 2970551 | 10.1021/jm00117a028 | Oryctolagus cuniculus | 1 |
| 2137879 | 10.1021/jm00165a022 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine