Compound Detail
CHEMBL4790365
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Basic Information
| ChEMBL ID | CHEMBL4790365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUGYKDOKOLKKRA-SNVBAGLBSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
1.39
ALogP
6
HBA
3
HBD
95.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable global transcription activator SNF2L2 CHEMBL2362979 | Kd | 7.15 | 7.15 | 71.0 | 1 |
| Transcription activator BRG1 CHEMBL3085620 | Kd | 7.0 | 7.0 | 100.0 | 1 |
| Protein polybromo-1 CHEMBL1795184 | Kd | 6.62 | 6.3025 | 238.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable global transcription activator SNF2L2 | Kd | = | 71.0 | nM | 7.15 | Binding affinity to SMARCA2 (unknown origin) by ITC analysis | 33216538 |
| Transcription activator BRG1 | Kd | = | 100.0 | nM | 7.0 | Binding affinity to SMARCA4 (unknown origin) by ITC analysis | 33216538 |
| Protein polybromo-1 | Kd | = | 238.0 | nM | 6.62 | Binding affinity to polybromo-1 (5) (unknown origin) by ITC analysis | 33216538 |
| Protein polybromo-1 | Kd | = | 252.0 | nM | 6.6 | Binding affinity to polybromo-1 (2) (unknown origin) by ITC analysis | 33216538 |
| Protein polybromo-1 | Kd | = | 328.0 | nM | 6.48 | Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis | 33216538 |
| Protein polybromo-1 | Kd | = | 3110.0 | nM | 5.51 | Binding affinity to polybromo-1 (4) (unknown origin) by ITC analysis | 33216538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Protein polybromo-1 | 10 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | MDA-MB-231 | 2 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | MCF7 | 2 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | HT-29 | 2 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | HCT-116 | 2 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Transcription activator BRG1 | 2 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Probable global transcription activator SNF2L2 | 2 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Unchecked | 1 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
Data from ChEMBL 36 via Core Engine