Compound Detail
CHEMBL284863
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H]1[C@@H](CCOP(=O)(OCC[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)Oc2ccccc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL284863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTIOKCLJSDBRMF-IFZSENKQSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
762.9
MW (Da)
8.49
ALogP
12
HBA
0
HBD
118.6
PSA (Ų)
0.17
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.74 | 9.4467 | 0.2 | 3 |
| HL-60 CHEMBL383 | IC50 | 6.62 | 6.595 | 241.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.18 | nM | 9.74 | In vitro antimalarial activity against Plasmodium falciparum HB3 by [3H]hypoxant... | 14971909 |
| Plasmodium falciparum | IC50 | = | 0.5 | nM | 9.3 | In vitro antimalarial activity against Plasmodium falciparum K1 by [3H]hypoxanth... | 14971909 |
| Plasmodium falciparum | IC50 | = | 0.5 | nM | 9.3 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 by ... | 19136263 |
| HL-60 | IC50 | = | 241.0 | nM | 6.62 | Inhibitory concentration against HL60 cells | 14971909 |
| HL-60 | IC50 | = | 270.0 | nM | 6.57 | Anticancer activity against human HL60 cells by MTT assay | 19136263 |
| Jurkat | IC50 | = | 13200.0 | nM | 4.88 | Inhibitory concentration against jurkat cells | 14971909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14971909 | 10.1021/jm030974c | Jurkat | 9 |
| 14971909 | 10.1021/jm030974c | HL-60 | 4 |
| 14971909 | 10.1021/jm030974c | MCF7 | 3 |
| 14971909 | 10.1021/jm030974c | T47D | 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 | K562 | 3 |
Data from ChEMBL 36 via Core Engine