Compound Detail
CHEMBL5881619
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CCC(O)(CC)c1nn(C)c2c3ncc(-c4c(C)nnn4C)cc3n(C(c3ccccc3)C3CCOCC3)c12
Basic Information
| ChEMBL ID | CHEMBL5881619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMWBDXRBBVGUAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.7
MW (Da)
5.05
ALogP
9
HBA
1
HBD
95.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 0.79 | nM | 9.1 | Binding Assay: Briefly, 20 nL of compounds were transferred to the 384-well plat... | - |
Data from ChEMBL 36 via Core Engine