Compound Detail
CHEMBL5077274
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Basic Information
| ChEMBL ID | CHEMBL5077274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPHYLGLRQPHZIG-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
4.15
ALogP
6
HBA
0
HBD
74.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Kd 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RISC-loading complex subunit TARBP2 CHEMBL2098 | Kd | 5.17 | 5.17 | 6790.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.89 | 4.89 | 12960.0 | 1 |
| SK-HEP1 CHEMBL614912 | IC50 | 4.71 | 4.71 | 19430.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.32 | 4.32 | 48350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RISC-loading complex subunit TARBP2 | Kd | = | 6790.0 | nM | 5.17 | Binding affinity to CM5 sensor chip immobilized recombinant full-length TRBP (un... | 34038111 |
| HeLa | IC50 | = | 12960.0 | nM | 4.89 | Antiproliferative activity against human HeLa cells assessed as increase in miR-... | 34038111 |
| SK-HEP1 | IC50 | = | 19430.0 | nM | 4.71 | Antiproliferative activity against human SK-HEP1 cells incubated for 24 hrs by a... | 34038111 |
| Unchecked | IC50 | = | 48350.0 | nM | 4.32 | Antiproliferative activity against human QSG7701 cells incubated for 24 hrs by a... | 34038111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34038111 | 10.1021/acs.jmedchem.1c00018 | HeLa | 2 |
| 34038111 | 10.1021/acs.jmedchem.1c00018 | SK-HEP1 | 2 |
| 34038111 | 10.1021/acs.jmedchem.1c00018 | Unchecked | 1 |
| 34038111 | 10.1021/acs.jmedchem.1c00018 | RISC-loading complex subunit TARBP2 | 1 |
| 34038111 | 10.1021/acs.jmedchem.1c00018 | MHCC97 | 1 |
| 34038111 | 10.1021/acs.jmedchem.1c00018 | HepG2 | 1 |
| 34038111 | 10.1021/acs.jmedchem.1c00018 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine