Compound Detail
CHEMBL255708
CEPHAELINE Enter ChEMBL ID:
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CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21
Basic Information
| ChEMBL ID | CHEMBL255708 |
| Name | CEPHAELINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTGZHCFJNDAHEN-OZEXIGSWSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
4.64
ALogP
6
HBA
2
HBD
63.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
EC50 1 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 7.91 | 7.91 | 12.3 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 12.3 | nM | 7.91 | Antiviral activity against SARS-CoV-2 infected in African green monkey Vero cell... | 37597436 |
| SK-OV-3 | IC50 | = | 100.0 | nM | 7.0 | Cytotoxicity against human SKOV3 cells assessed as reduction in cell viability i... | 31513408 |
| A549 | IC50 | = | 3000.0 | nM | 5.52 | Cytotoxicity against human A549 cells assessed as reduction in cell viability in... | 31513408 |
| HeLa | IC50 | = | 7600.0 | nM | 5.12 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability in... | 31513408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12880315 | 10.1021/np030086k | Unchecked | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 12880315 | 10.1021/np030086k | Integrin alpha-L | 2 |
| 12880315 | 10.1021/np030086k | Leishmania donovani | 2 |
| 12880315 | 10.1021/np030086k | Plasmodium falciparum | 2 |
| 12880315 | 10.1021/np030086k | Vero | 1 |
| 37597436 | 10.1016/j.ejmech.2023.115726 | HEK-293T | 1 |
| 31513408 | 10.1021/acs.jnatprod.9b00670 | A549 | 1 |
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
| 12880315 | 10.1021/np030086k | HL-60 | 1 |
| 12880315 | 10.1021/np030086k | SK-OV-3 | 1 |
| 12880315 | 10.1021/np030086k | BT-549 | 1 |
| 12880315 | 10.1021/np030086k | KB | 1 |
| 12880315 | 10.1021/np030086k | SK-MEL | 1 |
| 18327911 | 10.1021/np700738k | DU-145 | 1 |
| 18327911 | 10.1021/np700738k | SF-295 | 1 |
| 18327911 | 10.1021/np700738k | BXPC-3 | 1 |
| 18327911 | 10.1021/np700738k | KM-20L2 | 1 |
| 18327911 | 10.1021/np700738k | NCI-H460 | 1 |
| 18327911 | 10.1021/np700738k | OVCAR-3 | 1 |
Data from ChEMBL 36 via Core Engine