Compound Detail
CHEMBL268202
12,13-DEHYDROMANZAMINE A Enter ChEMBL ID:
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C1=C(c2nccc3c2[nH]c2ccccc23)C2CCN3CCCC/C=C\C/C=C/1[C@@H]1N4CCCC/C=C\[C@H]4C[C@]21C3
Basic Information
| ChEMBL ID | CHEMBL268202 |
| Name | 12,13-DEHYDROMANZAMINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJPQQKQCGFEXKO-SGYLFFKUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.8
MW (Da)
7.66
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.33
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of human recombinant GSKbeta | 17708655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17708655 | 10.1021/np060092r | Glycogen synthase kinase-3 beta | 2 |
Data from ChEMBL 36 via Core Engine