Compound Detail
CHEMBL608119
8-N-PENTAMIDOMANZAMINE A Enter ChEMBL ID:
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CCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C\CCCCN6[C@H]34)C5)nccc12
Basic Information
| ChEMBL ID | CHEMBL608119 |
| Name | 8-N-PENTAMIDOMANZAMINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSTOGDNFPWAFAX-AFBPJQMBSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
647.9
MW (Da)
7.98
ALogP
5
HBA
3
HBD
84.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.31 | 7.295 | 49.0 | 2 |
| Mycobacterium intracellulare CHEMBL612640 | IC50 | 6.16 | 6.16 | 695.0 | 1 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 5.33 | 5.33 | 4633.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 49.0 | nM | 7.31 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 inf... | 19833520 |
| Plasmodium falciparum | IC50 | = | 53.0 | nM | 7.28 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 inf... | 19833520 |
| Mycobacterium intracellulare | IC50 | = | 695.0 | nM | 6.16 | Antibacterial activity against Mycobacterium intracellular by alamar blue assay | 19833520 |
| Cryptococcus neoformans | IC50 | = | 4633.0 | nM | 5.33 | Antifungal activity against Cryptococcus neoformans by modified NCCLS method | 19833520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19833520 | 10.1016/j.bmc.2009.09.026 | Plasmodium falciparum | 2 |
| 19833520 | 10.1016/j.bmc.2009.09.026 | Mycobacterium intracellulare | 2 |
| 19833520 | 10.1016/j.bmc.2009.09.026 | Cryptococcus neoformans | 2 |
| 19833520 | 10.1016/j.bmc.2009.09.026 | Candida albicans | 2 |
| 19833520 | 10.1016/j.bmc.2009.09.026 | Aspergillus fumigatus | 2 |
| 19833520 | 10.1016/j.bmc.2009.09.026 | Vero | 1 |
| 19833520 | 10.1016/j.bmc.2009.09.026 | Escherichia coli | 1 |
| 19833520 | 10.1016/j.bmc.2009.09.026 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine