Compound Detail
CHEMBL1499843
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Basic Information
| ChEMBL ID | CHEMBL1499843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROFCASCKNJMJDO-OKOHOLKASA-M |
| Parent Compound | CHEMBL1622348 |
| Active Moiety | CHEMBL1622348 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.16
ALogP
2
HBA
0
HBD
24.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.62 | 4.62 | 24100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.15 | 4.15 | 70600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-14 | IC50 | = | 24100.0 | nM | 4.62 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
| Unchecked | IC50 | = | 70600.0 | nM | 4.15 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine