Compound Detail
CHEMBL457644
LONCHOCARPIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL457644 |
| Name | LONCHOCARPIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEXPKLJRGIWQBF-CSKARUKUSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.47
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 5.45 | 5.45 | 3540.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.66 | 4.66 | 21750.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.35 | 4.35 | 44530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 3540.0 | nM | 5.45 | Anti-neuroinflammatory activity against mouse BV2 cells assessed as inhibition o... | 25466192 |
| HCT-116 | IC50 | = | 20000.0 | nM | 4.7 | Antiproliferative activity against human HCT-116 cells assessed as reduction in ... | 33445154 |
| SW480 | IC50 | = | 20000.0 | nM | 4.7 | Antiproliferative activity against human SW480 cells assessed as reduction in ce... | 33445154 |
| Leishmania amazonensis | IC50 | = | 21750.0 | nM | 4.66 | Antileishmanial activity against intracellular amastigote stage of Leishmania am... | 26906638 |
| Trypanosoma cruzi | IC50 | = | 44530.0 | nM | 4.35 | Antiprotozoan activity against intracellular amastigote stage of Trypanosoma cru... | 26906638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18951808 | 10.1016/j.bmc.2008.09.064 | Bacillus cereus | 2 |
| 18951808 | 10.1016/j.bmc.2008.09.064 | Escherichia coli | 2 |
| 18951808 | 10.1016/j.bmc.2008.09.064 | Pseudomonas aeruginosa | 2 |
| 18951808 | 10.1016/j.bmc.2008.09.064 | Staphylococcus aureus | 2 |
| 26906638 | 10.1016/j.bmcl.2016.02.044 | Unchecked | 2 |
| 22633833 | 10.1016/j.ejmech.2012.05.005 | RAW264.7 | 1 |
| 25630222 | 10.1016/j.bmcl.2015.01.009 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 25630222 | 10.1016/j.bmcl.2015.01.009 | NON-PROTEIN TARGET | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | BV-2 | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | ADMET | 1 |
| 26906638 | 10.1016/j.bmcl.2016.02.044 | NON-PROTEIN TARGET | 1 |
| 26906638 | 10.1016/j.bmcl.2016.02.044 | Leishmania amazonensis | 1 |
| 26906638 | 10.1016/j.bmcl.2016.02.044 | Trypanosoma cruzi | 1 |
| 33445154 | 10.1016/j.ejmech.2020.113149 | HCT-116 | 1 |
| 33445154 | 10.1016/j.ejmech.2020.113149 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine