Compound Detail
CHEMBL1774399
OHCHININ ACETATE Enter ChEMBL ID:
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COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)/C=C/c4ccccc4)[C@@]1(C)[C@@H]23
Basic Information
| ChEMBL ID | CHEMBL1774399 |
| Name | OHCHININ ACETATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYFHWXOCTSBEPC-CUNMOGCISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
644.8
MW (Da)
6.04
ALogP
9
HBA
0
HBD
110.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 9900.0 | nM | 5.0 | Cytotoxicity against human HL60 cells assessed as cell viability after 48 hrs by... | 21381696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21381696 | 10.1021/np100783k | NON-PROTEIN TARGET | 2 |
| 21381696 | 10.1021/np100783k | HL-60 | 1 |
| 21381696 | 10.1021/np100783k | A549 | 1 |
| 21381696 | 10.1021/np100783k | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine