Compound Detail
CHEMBL11594
BMS-191095 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL11594 |
| Name | BMS-191095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMIKIPXIDLITMP-LEWJYISDSA-N |
3
Targets
3
Activities
2
Assay Types
4
PK Parameters
14
Publications
0
Known Names
Molecular Properties
408.9
MW (Da)
4.21
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial complex V; ATP synthase CHEMBL612444 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Sulfonylurea receptor 1, Kir6.2 CHEMBL2096972 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 1300.0 | nM | - |
| F | 47.0 | % | Rattus norvegicus |
| T1/2 | 3.0 | hr | Rattus norvegicus |
| Tmax | 1.9 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial complex V; ATP synthase | IC50 | = | 480.0 | nM | 6.32 | Inhibitory concentration towards rat mitochondrial F1F0 ATP hydrolase using a py... | 14971888 |
| Sulfonylurea receptor 1, Kir6.2 | EC50 | = | 1400.0 | nM | 5.85 | Activation of Kir6.2/SUR1 (unknown origin) channel opening | 36966977 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory concentration towards rat mitochondrial F1F0-ATP synthase using a hex... | 14971888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9016325 | 10.1021/jm9605905 | Rattus norvegicus | 4 |
| 9016325 | 10.1021/jm9605905 | ADMET | 3 |
| 11356099 | 10.1021/jm000484+ | Rattus norvegicus | 2 |
| 10479302 | 10.1021/jm990196h | Rattus norvegicus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 11356099 | 10.1021/jm000484+ | Unchecked | 1 |
| 10479302 | 10.1021/jm990196h | Unchecked | 1 |
| 14971888 | 10.1021/jm030291x | Mitochondrial complex V; ATP synthase | 1 |
| 14971888 | 10.1021/jm030291x | Unchecked | 1 |
| 19595602 | 10.1016/j.bmc.2009.06.028 | Heart | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36966977 | 10.1016/j.bmcl.2023.129256 | Sulfonylurea receptor 1, Kir6.2 | 1 |
Data from ChEMBL 36 via Core Engine