Compound Detail
CHEMBL1594935
CYSTAMINE DIHYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1594935 |
| Name | CYSTAMINE DIHYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUFRRMZSSPQMOS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL61350 |
| Active Moiety | CHEMBL61350 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
152.3
MW (Da)
0.29
ALogP
4
HBA
2
HBD
52.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of wild type recombinant human histone lysine methyltransferase G9a (... | 29519735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29519735 | 10.1016/j.bmcl.2018.02.043 | Histone-lysine N-methyltransferase EHMT1 | 3 |
| 29519735 | 10.1016/j.bmcl.2018.02.043 | Histone-lysine N-methyltransferase EHMT2 | 3 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 33744437 | 10.1016/j.bmcl.2021.127958 | Aldehyde dehydrogenase 1A1 | 1 |
| 33744437 | 10.1016/j.bmcl.2021.127958 | Aldehyde dehydrogenase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine