Compound Detail
CHEMBL176049
RHODAMINE123 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL176049 |
| Name | RHODAMINE123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYFATKRONKHHQL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL347534 |
| Active Moiety | CHEMBL347534 |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.05
ALogP
5
HBA
2
HBD
89.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.85
EC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.85 | 5.77 | 1400.0 | 3 |
| A2780 CHEMBL614004 | IC50 | 5.72 | 5.72 | 1905.5 | 1 |
| FM3A CHEMBL614297 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 300.0 | nM | 6.52 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 11855978 |
| NON-PROTEIN TARGET | IC50 | = | 1400.0 | nM | 5.85 | Cytotoxicity against drug-resistant human KB31 cells after 72 hrs by MTS reducti... | 11087617 |
| NON-PROTEIN TARGET | IC50 | = | 1600.0 | nM | 5.8 | Cytotoxicity against drug-sensitive human KB-3-1 cells after 48 hrs by MTS/PMS a... | 11720520 |
| A2780 | IC50 | = | 1905.46 | nM | 5.72 | Cytotoxicity against human A2780 cells after 72 hrs by MTT assay | 17890094 |
| NON-PROTEIN TARGET | IC50 | = | 2200.0 | nM | 5.66 | Cytotoxicity against drug-resistant human KB-3-1 cells by MTS/PMS assay | 12350151 |
| FM3A | EC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against mouse mammary tumor FM3A cells representing a model of host | 11855978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19770280 | 10.1128/aac.00748-09 | Acinetobacter baumannii | 4 |
| 19770280 | 10.1128/aac.00748-09 | Escherichia coli | 3 |
| 11855978 | 10.1021/jm0155704 | FM3A | 2 |
| 9862789 | - | ATP-dependent translocase ABCB1 | 2 |
| 20739103 | 10.1016/j.ejmech.2010.07.050 | Saccharomyces cerevisiae | 2 |
| 20739103 | 10.1016/j.ejmech.2010.07.050 | Unchecked | 2 |
| 11087617 | 10.1021/np0003443 | NON-PROTEIN TARGET | 2 |
| 12350151 | 10.1021/np0106384 | NON-PROTEIN TARGET | 2 |
| 11720520 | 10.1021/np010032f | NON-PROTEIN TARGET | 2 |
| 12350151 | 10.1021/np0106384 | Unchecked | 1 |
| 11087617 | 10.1021/np0003443 | Unchecked | 1 |
| 11720520 | 10.1021/np010032f | Unchecked | 1 |
| 19015352 | 10.1128/aac.01095-08 | ATP binding cassette transporter Abc1p | 1 |
| 17890094 | 10.1016/j.bmc.2007.07.024 | A2780 | 1 |
| 17890094 | 10.1016/j.bmc.2007.07.024 | NON-PROTEIN TARGET | 1 |
| 11855978 | 10.1021/jm0155704 | Plasmodium falciparum | 1 |
| 9732409 | - | ATP-dependent translocase ABCB1 | 1 |
| 11031728 | 10.1358/mf.2000.22.5.796646 | ATP-dependent translocase ABCB1 | 1 |
| 10617675 | - | ATP-dependent translocase ABCB1 | 1 |
| 15067695 | 10.1002/jps.20046 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine