Compound Detail
CHEMBL4279315
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Basic Information
| ChEMBL ID | CHEMBL4279315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEQUOFOAGUXUEH-GZTJUZNOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.09
ALogP
4
HBA
2
HBD
57.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SMMC-7721 CHEMBL613831 | IC50 | 4.35 | 4.35 | 44880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SMMC-7721 | IC50 | = | 44880.0 | nM | 4.35 | Antiproliferative activity against human SMMC7721 cells after 72 hrs by MTT assa... | 30108734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108734 | 10.1039/C7MD00353F | SMMC-7721 | 1 |
| 30108734 | 10.1039/C7MD00353F | MGC-803 | 1 |
| 30108734 | 10.1039/C7MD00353F | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine