Compound Detail
CHEMBL592631
MANZAMINE D Enter ChEMBL ID:
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O[C@]12C=C(C3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C\CCCCN3[C@H]12
Basic Information
| ChEMBL ID | CHEMBL592631 |
| Name | MANZAMINE D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKUVHUCZHJQMJW-VHSSNGTLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
552.8
MW (Da)
6.04
ALogP
4
HBA
3
HBD
54.5
PSA (Ų)
0.38
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.68 | 5.645 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2100.0 | nM | 5.68 | Antineuroinflammatory activity in LPS-stimulated rat neonatal microglia assessed... | 20017491 |
| NON-PROTEIN TARGET | IC50 | = | 2450.0 | nM | 5.61 | Antineuroinflammatory activity in LPS-stimulated rat neonatal microglia assessed... | 20017491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20017491 | 10.1021/jm900672t | NON-PROTEIN TARGET | 3 |
| 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 |
| 20017491 | 10.1021/jm900672t | ADMET | 1 |
Data from ChEMBL 36 via Core Engine