Compound Detail
CHEMBL198938
OCTADECYLPHOSPHONOCHOLINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL198938 |
| Name | OCTADECYLPHOSPHONOCHOLINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBNJXSZNWZUYCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
6.46
ALogP
4
HBA
0
HBD
58.6
PSA (Ų)
0.11
QED
1
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | EC50 | = | 2400.0 | nM | 5.62 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 promastigote... | 17908944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17532639 | 10.1016/j.bmc.2007.05.028 | ADMET | 6 |
| 16190765 | 10.1021/jm050189v | ADMET | 3 |
| 17532639 | 10.1016/j.bmc.2007.05.028 | Phospholipase B | 3 |
| 19345587 | 10.1016/j.bmc.2009.03.030 | Autotaxin | 3 |
| 17532639 | 10.1016/j.bmc.2007.05.028 | Staphylococcus aureus | 2 |
| 17908944 | 10.1128/aac.00465-07 | Leishmania donovani | 2 |
| 17532639 | 10.1016/j.bmc.2007.05.028 | Cryptococcus neoformans | 1 |
| 17532639 | 10.1016/j.bmc.2007.05.028 | Escherichia coli | 1 |
| 17532639 | 10.1016/j.bmc.2007.05.028 | Enterococcus | 1 |
| 17532639 | 10.1016/j.bmc.2007.05.028 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine