Compound Detail
CHEMBL570290
NECTAMAZIN C Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CCC1=C[C@@]2(OC)[C@@H](C)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@](OC)([C@H]1O)[C@H]2O
Basic Information
| ChEMBL ID | CHEMBL570290 |
| Name | NECTAMAZIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHVTXDBRSOSKKO-BHIPVSGSSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
2.45
ALogP
7
HBA
2
HBD
86.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.42 | 5.045 | 3780.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.17 | 5.17 | 6830.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.13 | 4.13 | 74600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3780.0 | nM | 5.42 | Antiplatelet activity in rabbit platelets assessed as inhibition of platelet act... | 19880317 |
| Prostaglandin G/H synthase 2 | IC50 | = | 6830.0 | nM | 5.17 | Inhibition of ovine COX-2 assessed as inhibition of transformation of AA to PGH2... | 19880317 |
| Unchecked | IC50 | = | 12800.0 | nM | 4.89 | Inhibition of potato LOX-5 assessed as inhibition of hydroperoxide production af... | 19880317 |
| NON-PROTEIN TARGET | IC50 | = | 21600.0 | nM | 4.67 | Antiplatelet activity in rabbit platelets assessed as inhibition of arachidonic ... | 19880317 |
| Prostaglandin G/H synthase 1 | IC50 | = | 74600.0 | nM | 4.13 | Inhibition of ovine COX-1 assessed as inhibition of transformation of AA to PGH2... | 19880317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19880317 | 10.1016/j.bmcl.2009.10.069 | NON-PROTEIN TARGET | 3 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Unchecked | 2 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 1 | 1 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine