Compound Detail
CHEMBL28196
ISBOGREL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL28196 |
| Name | ISBOGREL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UWPBQLKEHGGKKD-BOPFTXTBSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
1
Known Names
Molecular Properties
281.4
MW (Da)
4.16
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 9.05 | 8.2075 | 0.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 0.9 | nM | 9.05 | In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes ... | 11858999 |
| Thromboxane-A synthase | IC50 | = | 0.9 | nM | 9.05 | Thromboxane A2 synthase inhibitory activity was measured from inhibition of thro... | 11992782 |
| Thromboxane-A synthase | IC50 | = | 36.0 | nM | 7.44 | Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubati... | 4038746 |
| Thromboxane-A synthase | IC50 | = | 51.0 | nM | 7.29 | Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubati... | 4038746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11858999 | 10.1016/s0960-894x(02)00005-7 | Thromboxane-A synthase | 3 |
| 11858999 | 10.1016/s0960-894x(02)00005-7 | Mus musculus | 2 |
| 4038746 | 10.1021/jm00381a005 | Thromboxane-A synthase | 2 |
| 11992782 | 10.1016/s0960-894x(02)00186-5 | Mus musculus | 2 |
| 11992782 | 10.1016/s0960-894x(02)00186-5 | Rattus norvegicus | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 11858999 | 10.1016/s0960-894x(02)00005-7 | Oryctolagus cuniculus | 1 |
| 11992782 | 10.1016/s0960-894x(02)00186-5 | Oryctolagus cuniculus | 1 |
| 11992782 | 10.1016/s0960-894x(02)00186-5 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine