Compound Detail
CHEMBL129177
HARMALOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL129177 |
| Name | HARMALOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHVPEFQDYMMNSY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
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 4 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thiosulfate sulfurtransferase CHEMBL4295835 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.95 | 4.95 | 11280.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thiosulfate sulfurtransferase | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodane... | 30852084 |
| Acetylcholinesterase | IC50 | = | 11280.0 | nM | 4.95 | Inhibition of electric eel AChE using acetylcholine iodide as substrate measured... | 22425563 |
| GroEL/GroES | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Esch... | 30852084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22425563 | 10.1016/j.bmcl.2012.02.057 | Acetylcholinesterase | 4 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | GroEL/GroES | 4 |
| 17850214 | 10.1042/bj20070797 | Unchecked | 2 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 5 | 1 |
| 17850214 | 10.1042/bj20070797 | RAC-alpha serine/threonine-protein kinase | 1 |
| 17850214 | 10.1042/bj20070797 | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-2 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-1 | 1 |
| 17850214 | 10.1042/bj20070797 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 6 | 1 |
| 12930153 | 10.1021/jm030080s | 5-hydroxytryptamine receptor 5A | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 4 | 1 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 12 | 1 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 13 | 1 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 11 | 1 |
| 17850214 | 10.1042/bj20070797 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 17850214 | 10.1042/bj20070797 | Rho-associated protein kinase 2 | 1 |
| 17911242 | 10.1073/pnas.0708036104 | Androgen receptor | 1 |
| 11909733 | 10.1016/s0960-894x(02)00094-x | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine