Compound Detail
CHEMBL443503
15,16,32,33-TETRAHYDRO-8-HYDROXYMANZAMINE A Enter ChEMBL ID:
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Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CCCCCCCCN5CC[C@@H]3[C@]3(C[C@@H]6CCCCCCN6[C@H]34)C5)nccc12
Basic Information
| ChEMBL ID | CHEMBL443503 |
| Name | 15,16,32,33-TETRAHYDRO-8-HYDROXYMANZAMINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHRFYFSYVSXAIC-LMPWOBKPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
568.8
MW (Da)
7.01
ALogP
5
HBA
3
HBD
75.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.71 | 5.71 | 1970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1970.0 | nM | 5.71 | Antineuroinflammatory activity in LPS-stimulated rat neonatal microglia assessed... | 20017491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20017491 | 10.1021/jm900672t | NON-PROTEIN TARGET | 5 |
| 18198837 | 10.1021/np0703702 | Mycobacterium tuberculosis | 2 |
| 18198837 | 10.1021/np0703702 | NON-PROTEIN TARGET | 2 |
| 20017491 | 10.1021/jm900672t | Plasmodium falciparum | 2 |
| 20017491 | 10.1021/jm900672t | Mycobacterium intracellulare | 1 |
| 20017491 | 10.1021/jm900672t | Cryptococcus neoformans | 1 |
| 20017491 | 10.1021/jm900672t | Candida albicans | 1 |
| 20017491 | 10.1021/jm900672t | Mycobacterium tuberculosis | 1 |
| 20017491 | 10.1021/jm900672t | Vero | 1 |
Data from ChEMBL 36 via Core Engine