Compound Detail
CHEMBL387689
TRAMETENOLIC ACID Enter ChEMBL ID:
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CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
Basic Information
| ChEMBL ID | CHEMBL387689 |
| Name | TRAMETENOLIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBSBUIQBEPROBM-GIICLEHTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
7.54
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.99 | 6.99 | 102.3 | 1 |
| Alpha-glucosidase MAL62 CHEMBL4357 | IC50 | 4.77 | 4.77 | 17090.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.2 | 4.2 | 62500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 102.3 | nM | 6.99 | Antiproliferative activity against multidrug resistant human MDA-MB-231/TxR cell... | 37847948 |
| Alpha-glucosidase MAL62 | IC50 | = | 17090.0 | nM | 4.77 | Inhibition of Saccharomyces cerevisiae (baker's yeast) alpha-glucosidase using p... | - |
| L1210 | IC50 | = | 62500.0 | nM | 4.2 | Cytotoxicity against mouse L1210 cells | 23092389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17049251 | 10.1016/j.bmc.2006.09.064 | Human gammaherpesvirus 4 | 4 |
| 10785428 | 10.1021/np990367l | NON-PROTEIN TARGET | 2 |
| 17049251 | 10.1016/j.bmc.2006.09.064 | Raji | 1 |
| 10785428 | 10.1021/np990367l | T-24 | 1 |
| 10785428 | 10.1021/np990367l | HT-3 | 1 |
| 10785428 | 10.1021/np990367l | SiHa | 1 |
| 10785428 | 10.1021/np990367l | Ca-Ski | 1 |
| 23092389 | 10.1021/np300412h | L1210 | 1 |
| - | 10.1007/s00044-011-9741-y | Alpha-glucosidase MAL62 | 1 |
| 24359303 | 10.1021/np400552w | NON-PROTEIN TARGET | 1 |
| 24359303 | 10.1021/np400552w | Unchecked | 1 |
| 29353722 | 10.1016/j.ejmech.2018.01.011 | Unchecked | 1 |
| 37847948 | 10.1016/j.bmc.2023.117486 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine