Compound Detail
CHEMBL449782
CEPHARANTHINE 🧪 Phase II
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🧪 Phase II
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C
Basic Information
| ChEMBL ID | CHEMBL449782 |
| Name | CEPHARANTHINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YVPXVXANRNDGTA-WDYNHAJCSA-N |
15
Targets
37
Activities
3
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Indications
Molecular Properties
606.7
MW (Da)
6.87
ALogP
8
HBA
0
HBD
61.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Severe Acute Respiratory Syndrome
Activity Summary
IC50 30 meas. best 7.22
Ki 4 meas. best 5.96
EC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 7.0 | 6.505 | 100.0 | 2 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 6.84 | 6.1167 | 143.0 | 6 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.64 | 6.39 | 231.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.51 | 5.5154 | 308.0 | 13 |
| Angiotensin-converting enzyme 2 CHEMBL3736 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
| ECa-109 cell line CHEMBL614668 | IC50 | 6.36 | 6.36 | 436.7 | 1 |
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | Ki | 5.96 | 5.96 | 1091.0 | 1 |
| Small conductance calcium-activated potassium channel protein 2 CHEMBL4469 | Ki | 5.88 | 5.88 | 1318.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Trypanothione reductase CHEMBL5131 | Ki | 5.12 | 4.705 | 7600.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| SMMC-7721 CHEMBL613831 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine