Compound Detail
CHEMBL243362
KURAIDIN 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=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O
Basic Information
| ChEMBL ID | CHEMBL243362 |
| Name | KURAIDIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIAPWPAWQGDOMN-SXAWMYDMSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.50
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL4567 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.08 | 5.08 | 8270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of COX1 | 16038536 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 640.0 | nM | 6.19 | Inhibition of Phosphodiesterase 5 from rat diaphragm | 12161123 |
| Unchecked | IC50 | = | 1250.0 | nM | 5.9 | Inhibition of Phosphodiesterase 3 from rat diaphragm | 12161123 |
| Phosphodiesterase 4 | IC50 | = | 8270.0 | nM | 5.08 | Inhibition of Phosphodiesterase 4 from rat liver | 12161123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161123 | 10.1016/s0960-894x(02)00401-8 | Unchecked | 3 |
| 12161123 | 10.1016/s0960-894x(02)00401-8 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 12161123 | 10.1016/s0960-894x(02)00401-8 | Phosphodiesterase 4 | 1 |
| 17374486 | 10.1016/j.bmc.2007.03.011 | Sodium/glucose cotransporter 1 | 1 |
| 17374486 | 10.1016/j.bmc.2007.03.011 | Sodium/glucose cotransporter 2 | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 9868163 | 10.1021/np980103j | Human alphaherpesvirus 1 | 1 |
| 9868163 | 10.1021/np980103j | Human alphaherpesvirus 2 | 1 |
Data from ChEMBL 36 via Core Engine