Compound Detail
CHEMBL1075701
PROTOXYLOCARPIN G Enter ChEMBL ID:
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CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H]([C@H](O)C(C)(C)O)C3)[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL1075701 |
| Name | PROTOXYLOCARPIN G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYXZUMLIUNJOEV-KGFLTEPUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
5.02
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.39
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.62 | 5.46 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2400.0 | nM | 5.62 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 20669933 |
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 20669933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908853 | 10.1021/np900640u | NON-PROTEIN TARGET | 2 |
| 20669933 | 10.1021/np100325q | Plasmodium falciparum | 2 |
| 19908853 | 10.1021/np900640u | SW-620 | 1 |
| 19908853 | 10.1021/np900640u | BT-474 | 1 |
| 19908853 | 10.1021/np900640u | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine