Compound Detail
CHEMBL5946217
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CCNC(=O)c1cc2c(-c3cc(C(C)(O)CCO)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5946217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTLOWGCNAYYCEZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
4.28
ALogP
6
HBA
4
HBD
116.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 8.96 | 7.775 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 1.1 | nM | 8.96 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
| Bromodomain-containing protein 4 | Ki | = | 259.0 | nM | 6.59 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
Data from ChEMBL 36 via Core Engine