Compound Detail
CHEMBL1782238
COCHINCHINOXANTHONE Enter ChEMBL ID:
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CC(C)=CC[C@]12OC(C)(C)[C@H]3C[C@H](C=C4C(=O)c5c(O)cc(O)cc5O[C@@]431)C2=O
Basic Information
| ChEMBL ID | CHEMBL1782238 |
| Name | COCHINCHINOXANTHONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCRBRZWMQVMPIY-OJVGWFQVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.46
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 3300.0 | nM | 5.48 | Effect on mitochondrial membrane potential in human HT-29 cells after 2 hrs usin... | 21428375 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherich... | 30830783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21428375 | 10.1021/np200051j | HT-29 | 2 |
| 21428375 | 10.1021/np200051j | Transcription factor p65 | 1 |
| 30830783 | 10.1021/acs.jnatprod.9b00018 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine