Compound Detail
CHEMBL252520
12,13-DEHYDRO-8-O-ACETYLMANZAMINE A Enter ChEMBL ID:
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CC(=O)Oc1cccc2c1[nH]c1c(C3=C/C4=C/C/C=C\CCCCN5CCC3[C@]3(C[C@@H]6/C=C\CCCCN6[C@@H]43)C5)nccc12
Basic Information
| ChEMBL ID | CHEMBL252520 |
| Name | 12,13-DEHYDRO-8-O-ACETYLMANZAMINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XANHIHHFYZZCBY-CVNPAURDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
588.8
MW (Da)
7.59
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 4800.0 | nM | 5.32 | 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