Compound Detail
CHEMBL19344
HIGENAMINE Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL19344 |
| Name | HIGENAMINE |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | WZRCQWQRFZITDX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
2
Known Names
Molecular Properties
271.3
MW (Da)
2.23
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 3 meas. best 5.83
Ki 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.83 | 5.83 | 1470.0 | 3 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 1470.0 | nM | 5.83 | Inhibition of full-length recombinant KDM1A (unknown origin) expressed in Escher... | 35101649 |
| Lysine-specific histone demethylase 1A | IC50 | = | 1470.0 | nM | 5.83 | Inhibition of LSD1 (unknown origin) | 34915312 |
| Lysine-specific histone demethylase 1A | IC50 | = | 1470.0 | nM | 5.83 | Inhibition of recombinant full-length LSD1 (unknown origin) expressed in Escheri... | 37257211 |
| D(4) dopamine receptor | Ki | = | 3100.0 | nM | 5.51 | Potency was measured by the displacement of [3H]-spiperone binding to human D4 d... | - |
| D(2) dopamine receptor | Ki | = | 3900.0 | nM | 5.41 | Potency was measured by the displacement of [3H]spiperone binding to human D2 do... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29066136 | 10.1016/j.bmc.2017.10.011 | Beta-2 adrenergic receptor | 2 |
| 37257211 | 10.1016/j.ejmech.2023.115516 | Lysine-specific histone demethylase 1A | 2 |
| - | 10.1016/S0960-894X(97)00194-7 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00194-7 | D(4) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00194-7 | Dopamine receptors; D2 & D4 | 1 |
| 35101649 | 10.1016/j.ejmech.2022.114143 | Amine oxidase [flavin-containing] A | 1 |
| 35101649 | 10.1016/j.ejmech.2022.114143 | Lysine-specific histone demethylase 1A | 1 |
| 35101649 | 10.1016/j.ejmech.2022.114143 | Amine oxidase [flavin-containing] B | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | Lysine-specific histone demethylase 1A | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine