Compound Detail
CHEMBL484522
11-CHLORONEOCRYPTOLEPINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL484522 |
| Name | 11-CHLORONEOCRYPTOLEPINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVCWOWQXBXIQSX-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
266.7
MW (Da)
4.48
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 5.88 | 5.88 | 1312.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.84 | 5.84 | 1459.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.7 | 5.695 | 1998.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 1312.0 | nM | 5.88 | Antiproliferative activity against human MV4-11 cells after 72 hrs by MTT assay | 22748378 |
| L6 | IC50 | = | 1459.0 | nM | 5.84 | Toxicity against rat L6 cells after 72 hrs by Alamar blue assay | 23360309 |
| Plasmodium falciparum | IC50 | = | 1998.0 | nM | 5.7 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 23360309 |
| Plasmodium falciparum | IC50 | = | 2055.0 | nM | 5.69 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 a... | 23360309 |
| ADMET | IC50 | = | 5000.0 | nM | 5.3 | Cytotoxicity against human MRC5 SV2 cells after 72 hrs by resazurin-based fluoro... | 19364118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23360309 | 10.1021/jm300887b | Plasmodium falciparum | 3 |
| 23360309 | 10.1021/jm300887b | Unchecked | 2 |
| 19364118 | 10.1021/jm801490z | Nucleic Acid | 1 |
| 19364118 | 10.1021/jm801490z | Histidine-rich protein PFHRP-II | 1 |
| 19364118 | 10.1021/jm801490z | Plasmodium falciparum | 1 |
| 19364118 | 10.1021/jm801490z | ADMET | 1 |
| 19364118 | 10.1021/jm801490z | Unchecked | 1 |
| 22748378 | 10.1016/j.bmc.2012.05.054 | MV4-11 | 1 |
| - | 10.1007/s00044-011-9934-4 | Schistosoma mansoni | 1 |
| 23360309 | 10.1021/jm300887b | L6 | 1 |
Data from ChEMBL 36 via Core Engine