Compound Detail
CHEMBL238823
MEDICARPIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL238823 |
| Name | MEDICARPIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODMIEGVTNZNSLD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.71
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
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 |
|---|---|---|---|---|---|
| J774.1 CHEMBL4296442 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774.1 | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of LPS-induced NO production in mouse J774.1 cells after 24 hrs by Gr... | 15974608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17764956 | 10.1016/j.bmc.2007.08.011 | NON-PROTEIN TARGET | 3 |
| 17158054 | 10.1016/j.bmc.2006.09.024 | U-937 | 3 |
| 17764956 | 10.1016/j.bmc.2007.08.011 | MDA-MB-435 | 1 |
| 17764956 | 10.1016/j.bmc.2007.08.011 | HCT-15 | 1 |
| 17764956 | 10.1016/j.bmc.2007.08.011 | HL-60 | 1 |
| 19124244 | 10.1016/j.bmcl.2008.12.064 | Osteoblast | 1 |
| 15974608 | 10.1021/np050009k | J774.1 | 1 |
Data from ChEMBL 36 via Core Engine