Compound Detail
CHEMBL4286757
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Basic Information
| ChEMBL ID | CHEMBL4286757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDQQADPIFMTIRW-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
268.7
MW (Da)
3.14
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
EC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription activator BRG1 CHEMBL3085620 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Probable global transcription activator SNF2L2 CHEMBL2362979 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription activator BRG1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (u... | 30339381 |
| Probable global transcription activator SNF2L2 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of recombinant His10-tagged ZZ-HCV3C-BRM ATPase-SnAC (636 to 1331 res... | 30339381 |
| Unchecked | EC50 | = | 650.0 | nM | 6.19 | Inhibition of BRM/BRG1 mutant-dependant cell proliferation in human SKMEL5 cells... | 30339381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30339381 | 10.1021/acs.jmedchem.8b01318 | Unchecked | 2 |
| 30339381 | 10.1021/acs.jmedchem.8b01318 | SBC-5 | 1 |
| 30339381 | 10.1021/acs.jmedchem.8b01318 | Transcription activator BRG1 | 1 |
| 30339381 | 10.1021/acs.jmedchem.8b01318 | Probable global transcription activator SNF2L2 | 1 |
Data from ChEMBL 36 via Core Engine