Compound Detail
CHEMBL60569
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Basic Information
| ChEMBL ID | CHEMBL60569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCYBVWFTGAZHGH-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
0.85
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.2
Ki 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver carboxylesterase 1 CHEMBL2265 | Ki | 5.27 | 5.27 | 5380.0 | 1 |
| Transthyretin CHEMBL3194 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.42 | 4.42 | 38200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver carboxylesterase 1 | Ki | = | 5380.0 | nM | 5.27 | Inhibition of human liver CE1 expressed in sf21 cells | 17378546 |
| Transthyretin | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggr... | 19651509 |
| Unchecked | Ki | = | 38200.0 | nM | 4.42 | Inhibition of human intestinal carboxylesterase expressed in sf21 cells | 17378546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19651509 | 10.1016/j.bmcl.2009.03.004 | Transthyretin | 3 |
| 17378546 | 10.1021/jm061471k | Unchecked | 2 |
| 21838297 | 10.1021/jf2021607 | Brassica rapa subsp. oleifera | 2 |
| 35080396 | 10.1021/acs.jmedchem.1c01684 | Unchecked | 2 |
| 11384246 | 10.1021/jm0100537 | Caspase-3 | 1 |
| 14505663 | 10.1016/s0960-894x(03)00756-x | Cruzipain | 1 |
| 14505663 | 10.1016/s0960-894x(03)00756-x | Falcipain 2 | 1 |
| 14505663 | 10.1016/s0960-894x(03)00756-x | Rhodesain | 1 |
| 8978838 | 10.1021/jm960603e | Human rhinovirus A protease | 1 |
| 17378546 | 10.1021/jm061471k | Acetylcholinesterase | 1 |
| 17378546 | 10.1021/jm061471k | Cholinesterase | 1 |
| 17378546 | 10.1021/jm061471k | Liver carboxylesterase 1 | 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 |
| 28688273 | 10.1016/j.ejmech.2017.06.060 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine