Compound Detail
CHEMBL1782241
COCHINCHINONE A Enter ChEMBL ID:
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CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c3cc(O)ccc3oc12
Basic Information
| ChEMBL ID | CHEMBL1782241 |
| Name | COCHINCHINONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHJQVNDLFGICFY-VCHYOVAHSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
6.81
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Ki 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | Ki | 4.87 | 4.87 | 13400.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 3100.0 | nM | 5.51 | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherich... | 29306546 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherich... | 29306546 |
| Alpha glucosidase | Ki | = | 13400.0 | nM | 4.87 | Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dix... | 29306546 |
| Alpha glucosidase | IC50 | = | 17400.0 | nM | 4.76 | Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate measur... | 29306546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29306546 | 10.1016/j.bmc.2017.12.043 | Alpha glucosidase | 3 |
| 29306546 | 10.1016/j.bmc.2017.12.043 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
| 21428375 | 10.1021/np200051j | HT-29 | 2 |
| 21428375 | 10.1021/np200051j | Transcription factor p65 | 1 |
Data from ChEMBL 36 via Core Engine