Compound Detail
CHEMBL1398645
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 | CHEMBL1398645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RORIJCSRDCVUQX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
4.87
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11800.0 | nM | 4.93 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
| Matrix metalloproteinase-14 | IC50 | = | 14500.0 | nM | 4.84 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine