Compound Detail
CHEMBL4518924
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
CC1=C[C@]23O[C@@H]4C[C@@H](O)[C@](C)([C@@]2(C)CC1)[C@]4(CO)O3
Basic Information
| ChEMBL ID | CHEMBL4518924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIJNSMKVZQMTNR-BXLXJSPXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
1.36
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
| KB CHEMBL398 | IC50 | 4.35 | 4.35 | 44700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7400.0 | nM | 5.13 | Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 infec... | 30860372 |
| Vero | IC50 | = | 15300.0 | nM | 4.82 | Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... | 30860372 |
| KB | IC50 | = | 44700.0 | nM | 4.35 | Cytotoxicity against human KB cells assessed as reduction in cell viability by r... | 30860372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30860372 | 10.1021/acs.jnatprod.8b00205 | Candida albicans | 1 |
| 30860372 | 10.1021/acs.jnatprod.8b00205 | Cryptococcus neoformans | 1 |
| 30860372 | 10.1021/acs.jnatprod.8b00205 | Nannizzia gypsea | 1 |
| 30860372 | 10.1021/acs.jnatprod.8b00205 | Plasmodium falciparum | 1 |
| 30860372 | 10.1021/acs.jnatprod.8b00205 | KB | 1 |
| 30860372 | 10.1021/acs.jnatprod.8b00205 | Vero | 1 |
Data from ChEMBL 36 via Core Engine