Compound Detail
CHEMBL389400
ATHEROSPERMIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL389400 |
| Name | ATHEROSPERMIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLXLLQQGGGHOMA-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
3.18
ALogP
5
HBA
0
HBD
57.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell CHEMBL614309 | IC50 | 5.38 | 5.38 | 4160.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| B-cell CHEMBL614701 | IC50 | 5.14 | 5.14 | 7290.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.5 | 4.5 | 31900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell | IC50 | = | 4160.0 | nM | 5.38 | Inhibition of ConA-induced BALB/c mouse T cell proliferation | 17081761 |
| Molecular identity unknown | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of Wnt signalling in human STF/293 cells assessed as suppression of T... | 27490091 |
| B-cell | IC50 | = | 7290.0 | nM | 5.14 | Inhibition of LPS-induced BALB/c mouse B cell proliferation | 17081761 |
| Acetylcholinesterase | IC50 | = | 10900.0 | nM | 4.96 | Inhibition of AChE (unknown origin) using ATCI as substrate preincubated for 15 ... | 37615114 |
| Amyloid-beta precursor protein | IC50 | = | 31900.0 | nM | 4.5 | Inhibition of amyloid beta 42 (unknown origin) aggregation incubated for 24 hrs ... | 37615114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37615114 | 10.1021/acs.jnatprod.3c00391 | Amyloid-beta precursor protein | 3 |
| 17081761 | 10.1016/j.bmc.2006.10.034 | T-cell | 2 |
| 17081761 | 10.1016/j.bmc.2006.10.034 | ADMET | 1 |
| 17081761 | 10.1016/j.bmc.2006.10.034 | B-cell | 1 |
| 17081761 | 10.1016/j.bmc.2006.10.034 | Unchecked | 1 |
| 11575948 | 10.1021/np010036k | HepG2 | 1 |
| 11575948 | 10.1021/np010036k | NON-PROTEIN TARGET | 1 |
| 11575948 | 10.1021/np010036k | Prothrombin | 1 |
| 12088427 | 10.1021/np0200717 | Unchecked | 1 |
| 27490091 | 10.1021/acs.jnatprod.6b00409 | NON-PROTEIN TARGET | 1 |
| 27490091 | 10.1021/acs.jnatprod.6b00409 | HEK293 | 1 |
| 27490091 | 10.1021/acs.jnatprod.6b00409 | Molecular identity unknown | 1 |
| 37615114 | 10.1021/acs.jnatprod.3c00391 | Acetylcholinesterase | 1 |
| 37615114 | 10.1021/acs.jnatprod.3c00391 | Cholinesterase | 1 |
| 37615114 | 10.1021/acs.jnatprod.3c00391 | Unchecked | 1 |
| 37615114 | 10.1021/acs.jnatprod.3c00391 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine