Compound Detail
CHEMBL2163791
VASICINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2163791 |
| Name | VASICINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIICVSCAKJMMDJ-JTQLQIEISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
1.30
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.5 | 5.5 | 3130.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.81 | 4.81 | 15410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 2530.0 | nM | 5.6 | Inhibition of horse BChE by Ellman's method | 23062825 |
| Cholinesterase | IC50 | = | 3130.0 | nM | 5.5 | Inhibition of human BChE by Ellman's method | 23062825 |
| PC-3 | IC50 | = | 15410.0 | nM | 4.81 | Cytotoxicity against human PC3 cells assessed as reduction in cell viability by ... | 29229205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 3 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 2 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | HL | 1 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | Chlamydia pneumoniae | 1 |
| 29229205 | 10.1016/j.bmcl.2017.12.003 | SGC-7901 | 1 |
| 29229205 | 10.1016/j.bmcl.2017.12.003 | PC-3 | 1 |
| 29229205 | 10.1016/j.bmcl.2017.12.003 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine