Compound Detail
CHEMBL61350
CYSTAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL61350 |
| Name | CYSTAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APQPRKLAWCIJEK-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
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 3 meas.
EC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | EC50 | 5.37 | 4.81 | 4300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | EC50 | = | 4300.0 | nM | 5.37 | Antiviral activity against HIV-1ADA in CEM-SS cells using monocyte/macrophage cu... | 9207937 |
| CEM-SS | EC50 | = | 56200.0 | nM | 4.25 | Antiviral activity against HIV-1 in CEM-SS cells using XXT assay | 9207937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9207937 | 10.1021/jm970147+ | CEM-SS | 4 |
| 21657271 | 10.1021/jm2001663 | NON-PROTEIN TARGET | 2 |
| - | 10.1007/s00044-004-0113-8 | Glutathione S-transferase | 2 |
| 9207937 | 10.1021/jm970147+ | Human immunodeficiency virus 1 | 1 |
| 9207937 | 10.1021/jm970147+ | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 9207937 | 10.1021/jm970147+ | Human immunodeficiency virus type 1 protease | 1 |
| 18024032 | 10.1016/j.bmcl.2007.10.112 | Unchecked | 1 |
| 21657271 | 10.1021/jm2001663 | Unchecked | 1 |
| - | 10.1007/s00044-004-0111-x | Glutamate--cysteine ligase | 1 |
Data from ChEMBL 36 via Core Engine