Compound Detail
CHEMBL24704
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COP(=O)(OCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)OCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL24704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEOPTWVJFHQANI-XVCDAZLWSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
700.8
MW (Da)
7.06
ALogP
12
HBA
0
HBD
118.6
PSA (Ų)
0.18
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 10.05 | 9.84 | 0.1 | 5 |
| HL-60 CHEMBL383 | IC50 | 7.16 | 7.0 | 70.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.09 | nM | 10.05 | In vitro antimalarial activity against Plasmodium falciparum HB3 by [3H]hypoxant... | 14971909 |
| Plasmodium falciparum | IC50 | = | 0.09 | nM | 10.05 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum HB3 as... | 32860980 |
| Plasmodium falciparum | IC50 | = | 0.2 | nM | 9.7 | In vitro antimalarial activity against Plasmodium falciparum K1 by [3H]hypoxanth... | 14971909 |
| Plasmodium falciparum | IC50 | = | 0.2 | nM | 9.7 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 by ... | 19136263 |
| Plasmodium falciparum | IC50 | = | 0.2 | nM | 9.7 | Antimalarial activity against Plasmodium falciparum K1 infected in human erythro... | 32860980 |
| HL-60 | IC50 | = | 70.0 | nM | 7.16 | Anticancer activity against human HL60 cells by MTT assay | 19136263 |
| HL-60 | IC50 | = | 143.0 | nM | 6.84 | Inhibitory concentration against HL60 cells | 14971909 |
| Jurkat | IC50 | = | 7700.0 | nM | 5.11 | Inhibitory concentration against Jurkat cells | 14971909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14971909 | 10.1021/jm030974c | CCRF-CEM | 5 |
| 14971909 | 10.1021/jm030974c | NCI/ADR-RES | 3 |
| 14971909 | 10.1021/jm030974c | MCF7 | 3 |
| 14971909 | 10.1021/jm030974c | PC-3 | 3 |
| 14971909 | 10.1021/jm030974c | UACC-62 | 3 |
| 14971909 | 10.1021/jm030974c | SK-MEL-5 | 3 |
| 14971909 | 10.1021/jm030974c | Malme-3M | 3 |
| 14971909 | 10.1021/jm030974c | LOX IMVI | 3 |
| 14971909 | 10.1021/jm030974c | SW-620 | 3 |
| 14971909 | 10.1021/jm030974c | KM12 | 3 |
| 14971909 | 10.1021/jm030974c | HT-29 | 3 |
| 14971909 | 10.1021/jm030974c | HCT-15 | 3 |
| 14971909 | 10.1021/jm030974c | HCT-116 | 3 |
| 14971909 | 10.1021/jm030974c | HCC 2998 | 3 |
| 14971909 | 10.1021/jm030974c | COLO 205 | 3 |
| 14971909 | 10.1021/jm030974c | SR | 3 |
| 14971909 | 10.1021/jm030974c | RPMI-8226 | 3 |
| 14971909 | 10.1021/jm030974c | MOLT-4 | 3 |
| 14971909 | 10.1021/jm030974c | T47D | 3 |
| 14971909 | 10.1021/jm030974c | HL-60 | 3 |
Data from ChEMBL 36 via Core Engine