Compound Detail
CHEMBL1738780
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
Basic Information
| ChEMBL ID | CHEMBL1738780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDPLDWUOSVSMNS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
2.82
ALogP
6
HBA
2
HBD
106.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Homo sapiens |
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | EC50 | = | 28.0 | nM | 7.55 | Inhibition of MK2 pretreated for 30 mins before substrate addition measured afte... | 21565500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21565500 | 10.1016/j.bmcl.2011.04.018 | ADMET | 2 |
| 21565500 | 10.1016/j.bmcl.2011.04.018 | Liver microsomes | 2 |
| 21565500 | 10.1016/j.bmcl.2011.04.018 | MAP kinase-activated protein kinase 2 | 1 |
| 21565500 | 10.1016/j.bmcl.2011.04.018 | Caco-2 | 1 |
| 21565500 | 10.1016/j.bmcl.2011.04.018 | No relevant target | 1 |
| 21565500 | 10.1016/j.bmcl.2011.04.018 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine