Compound Detail
CHEMBL598180
ISONEOCRYPTOLEPINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL598180 |
| Name | ISONEOCRYPTOLEPINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJDRBPKLWHQXNL-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
3.30
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 230.0 | nM | 6.64 | Antiparasitic activity against Plasmodium falciparum K1 | 20133138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19781948 | 10.1016/j.bmc.2009.08.057 | Unchecked | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Nucleic Acid | 1 |
| 20133138 | 10.1016/j.bmc.2010.01.013 | Plasmodium falciparum | 1 |
| 20133138 | 10.1016/j.bmc.2010.01.013 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine