Compound Detail
CHEMBL486816
HARMALOL HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL486816 |
| Name | HARMALOL HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSWAWVOHMZNXOS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL129177 |
| Active Moiety | CHEMBL129177 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
200.2
MW (Da)
2.24
ALogP
2
HBA
2
HBD
48.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9 CHEMBL614806 | IC50 | 4.06 | 4.06 | 87100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | IC50 | = | 87100.0 | nM | 4.06 | Cytotoxicity against human H9 cells | 11473435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6195312 | 10.1021/np50028a027 | CHO | 5 |
| 11473435 | 10.1021/np0101189 | H9 | 1 |
| 11473435 | 10.1021/np0101189 | Human immunodeficiency virus 1 | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
Data from ChEMBL 36 via Core Engine