Compound Detail
CHEMBL327134
HIRSUTINE Enter ChEMBL ID:
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CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL327134 |
| Name | HIRSUTINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMLUOJBSAYAYEM-AZQGJTAVSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.82
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.71
EC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 1 CHEMBL613360 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.71 | 5.71 | 1970.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 5.3 | 5.3 | 4970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 1 | EC50 | = | 1900.0 | nM | 5.72 | Antiviral activity against DENV1 infected in human A549 cells after 3 days by fo... | 31128447 |
| Cholinesterase | IC50 | = | 1970.0 | nM | 5.71 | Inhibition of human BChE by Ellman's method | 23062825 |
| Cholinesterase | IC50 | = | 4970.0 | nM | 5.3 | Inhibition of horse BChE by Ellman's method | 23062825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10154-8 | MDCK | 10 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 3 |
| - | 10.1016/S0960-894X(97)10154-8 | Unchecked | 2 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 2 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 1 | 1 |
Data from ChEMBL 36 via Core Engine