Compound Detail
CHEMBL4474288
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CCCN1C(=O)[C@@H](C)N(C2CCOCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ccc21
Basic Information
| ChEMBL ID | CHEMBL4474288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEZKKIMJJAQTOO-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
3.95
ALogP
8
HBA
2
HBD
99.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 | IC50 | = | 82.0 | nM | 7.09 | Displacement of biotinylated probe from human TAF1 bromodomain 2 (1522 to 1656 r... | 31620231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31620231 | 10.1021/acsmedchemlett.9b00243 | Bromodomain-containing protein 4 | 1 |
| 31620231 | 10.1021/acsmedchemlett.9b00243 | Transcription initiation factor TFIID subunit 1 | 1 |
| 31620231 | 10.1021/acsmedchemlett.9b00243 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine