Compound Detail
CHEMBL445647
2-Oxoisohexanoate Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL445647 |
| Name | 2-Oxoisohexanoate |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKAJNAXTPSGJCU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
130.1
MW (Da)
0.69
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 2 CHEMBL2073718 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 2 | Ki | = | 100000.0 | nM | 4.0 | TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes | 10417314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80261-4 | Catharanthus roseus | 2 |
| 9374487 | 10.1074/jbc.272.48.30096 | Monocarboxylate transporter 1 | 1 |
| 10417314 | 10.1042/0264-6021:3410529 | Monocarboxylate transporter 2 | 1 |
| 9639576 | 10.1042/bj3330167 | Monocarboxylate transporter 1 | 1 |
| 11101640 | 10.1111/j.1469-7793.2000.00285.x | Monocarboxylate transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine