Compound Detail
CHEMBL400345
COLUMBAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL400345 |
| Name | COLUMBAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYFOFDHQVIODOQ-UHFFFAOYSA-O |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.08
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.33 | 6.33 | 470.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.51 | 4.51 | 30600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 470.0 | nM | 6.33 | Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL... | 33581557 |
| Lysine-specific histone demethylase 1A | IC50 | = | 470.0 | nM | 6.33 | Inhibition of recombinant KDM1A (unknown origin) expressed in Escherichia coli B... | 35101649 |
| Cytochrome P450 3A4 | IC50 | = | 30600.0 | nM | 4.51 | Inhibition of human CYP3A4 expressed in Escherichia coli assessed as inhibition ... | 17994701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31859028 | 10.1016/j.bmc.2019.115093 | HaCaT | 2 |
| 17994701 | 10.1021/np0704248 | Cytochrome P450 3A4 | 1 |
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
| 33581557 | 10.1016/j.ejmech.2021.113254 | Lysine-specific histone demethylase 1A | 1 |
| 35101649 | 10.1016/j.ejmech.2022.114143 | Lysine-specific histone demethylase 1A | 1 |
| 33454546 | 10.1016/j.ejmech.2021.113165 | RAW264.7 | 1 |
| 33454546 | 10.1016/j.ejmech.2021.113165 | Nuclear factor NF-kappa-B complex | 1 |
Data from ChEMBL 36 via Core Engine