Compound Detail
CHEMBL442717
DAURICINE Enter ChEMBL ID:
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COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2
Basic Information
| ChEMBL ID | CHEMBL442717 |
| Name | DAURICINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQASRZOCERRGBL-ROJLCIKYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
624.8
MW (Da)
6.76
ALogP
8
HBA
1
HBD
72.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory concentration against IKr potassium channel | 15324906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324906 | 10.1016/j.bmcl.2004.06.070 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 1955879 | 10.1021/np50075a001 | Rattus norvegicus | 1 |
| 1955879 | 10.1021/np50075a001 | Unchecked | 1 |
| 32503690 | 10.1016/j.bmc.2020.115553 | ATP-dependent translocase ABCB1 | 1 |
| 32942071 | 10.1016/j.ejmech.2020.112810 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine