Compound Detail
CHEMBL33256
CHRYSOSPLENOL B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL33256 |
| Name | CHRYSOSPLENOL B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBVTYGIYKCPHQN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.91
ALogP
8
HBA
2
HBD
107.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.91 | 4.655 | 12400.0 | 2 |
| HT-29 CHEMBL384 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 12400.0 | nM | 4.91 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum K1 inf... | 26928423 |
| HT-29 | IC50 | = | 14200.0 | nM | 4.85 | Compound was tested for cytotoxicity against colon adenocarcinoma | 8182705 |
| Plasmodium falciparum | IC50 | = | 39500.0 | nM | 4.4 | Antiplasmodial activity against chloroquine/antifolate-sensitive Plasmodium falc... | 26928423 |
| SK-OV-3 | IC50 | = | 79000.0 | nM | 4.1 | Compound was tested for cytotoxicity against ovarian adenocarcinoma, multidrug r... | 8182705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26928423 | 10.1021/acs.jnatprod.5b01054 | Plasmodium falciparum | 2 |
| 35640148 | 10.1021/acs.jnatprod.2c00146 | Unchecked | 2 |
| 8182705 | 10.1021/jm00036a012 | KB | 2 |
| 30830783 | 10.1021/acs.jnatprod.9b00018 | Unchecked | 2 |
| 8182705 | 10.1021/jm00036a012 | HT-29 | 1 |
| 30830783 | 10.1021/acs.jnatprod.9b00018 | KB | 1 |
| 30830783 | 10.1021/acs.jnatprod.9b00018 | A-431 | 1 |
| 36731248 | 10.1016/j.bmc.2023.117187 | Staphylococcus aureus | 1 |
| 30830783 | 10.1021/acs.jnatprod.9b00018 | Col2 | 1 |
| 30830783 | 10.1021/acs.jnatprod.9b00018 | P388 | 1 |
| 1955888 | 10.1021/np50075a029 | KB | 1 |
| 9632366 | 10.1021/jm970842h | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| 8182705 | 10.1021/jm00036a012 | BC1 cell line | 1 |
| 8182705 | 10.1021/jm00036a012 | SK-VLB | 1 |
| 8182705 | 10.1021/jm00036a012 | SK-OV-3 | 1 |
| 8182705 | 10.1021/jm00036a012 | U373 MG | 1 |
| 8182705 | 10.1021/jm00036a012 | A-431 | 1 |
| 8182705 | 10.1021/jm00036a012 | P388 | 1 |
| 8182705 | 10.1021/jm00036a012 | Colon carcinoma cell | 1 |
| 8182705 | 10.1021/jm00036a012 | Lung cancer cell line | 1 |
Data from ChEMBL 36 via Core Engine