Compound Detail
CHEMBL2089157
HARMALINE HYDROCHLORIDE DIHYDRATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2089157 |
| Name | HARMALINE HYDROCHLORIDE DIHYDRATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTXXRFMWLCYUQN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL340807 |
| Active Moiety | CHEMBL340807 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
2.54
ALogP
2
HBA
1
HBD
37.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Snake venom metalloproteinase BaP1 CHEMBL2079851 | IC50 | 4.15 | 4.15 | 70400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Snake venom metalloproteinase BaP1 | IC50 | = | 70400.0 | nM | 4.15 | Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incuba... | 24900507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900507 | 10.1021/ml300068r | Snake venom metalloproteinase BaP1 | 1 |
Data from ChEMBL 36 via Core Engine