Compound Detail
CHEMBL478666
CARBACRINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL478666 |
| Name | CARBACRINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPEKEPLZQKHSPL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
513.1
MW (Da)
7.26
ALogP
4
HBA
3
HBD
62.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.67 | 8.67 | 2.1 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.53 | 6.53 | 296.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2.15 | nM | 8.67 | Inhibition of human recombinant AChE by Ellman's method | 18605718 |
| Cholinesterase | IC50 | = | 296.0 | nM | 6.53 | Inhibition of human serum BChE by Ellman's method | 18605718 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 740.0 | nM | 6.13 | Inhibition of NMDA NR1/NR2B receptor expressed in xenopus oocytes assessed as in... | 18605718 |
| SH-SY5Y | IC50 | = | 23000.0 | nM | 4.64 | Antioxidant activity against tert-butyl hydroperoxide-induced ROS evoked cell de... | 18605718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18605718 | 10.1021/jm800577j | Acetylcholinesterase | 2 |
| 18605718 | 10.1021/jm800577j | Cholinesterase | 1 |
| 18605718 | 10.1021/jm800577j | Unchecked | 1 |
| 18605718 | 10.1021/jm800577j | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
| 18605718 | 10.1021/jm800577j | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine