Compound Detail
CHEMBL222660
5-METHOXYISATIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL222660 |
| Name | 5-METHOXYISATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
0.83
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.57 | 4.57 | 26700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 26700.0 | nM | 4.57 | Inhibition of rabbit liver carboxylesterase expressed in sf21 cells | 17378546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17378546 | 10.1021/jm061471k | Unchecked | 2 |
| 21838297 | 10.1021/jf2021607 | Brassica rapa subsp. oleifera | 2 |
| 17378546 | 10.1021/jm061471k | Liver carboxylesterase 1 | 1 |
| 17378546 | 10.1021/jm061471k | Acetylcholinesterase | 1 |
| 17378546 | 10.1021/jm061471k | Cholinesterase | 1 |
| 17088067 | 10.1016/j.bmc.2006.10.035 | U-937 | 1 |
| 20056518 | 10.1016/j.ejmech.2009.12.010 | U-937 | 1 |
| 21838297 | 10.1021/jf2021607 | Acetolactate synthase, chloroplastic | 1 |
| 24316352 | 10.1016/j.bmc.2013.11.028 | Replicase polyprotein 1ab | 1 |
| 24360564 | 10.1016/j.bmcl.2013.12.001 | HT-29 | 1 |
| 24360564 | 10.1016/j.bmcl.2013.12.001 | HepG2 | 1 |
| 24360564 | 10.1016/j.bmcl.2013.12.001 | K562 | 1 |
| 26890120 | 10.1016/j.ejmech.2015.12.050 | Jurkat | 1 |
| 30055465 | 10.1016/j.ejmech.2018.07.032 | K562 | 1 |
| 30055465 | 10.1016/j.ejmech.2018.07.032 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine