Compound Detail
CHEMBL5932300
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CCNC(=O)c1cc2c(-c3ccc(C(=O)N(CC(=O)NC)Cc4ccccn4)cc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5932300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKIYAAYWTSIYIW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
620.7
MW (Da)
4.48
ALogP
7
HBA
3
HBD
138.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 8.58 | 7.28 | 2.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 2.61 | nM | 8.58 | TR-FRET Assay (BD2: amino acids E352-E168): Compound dilution series were prepar... | - |
| Bromodomain-containing protein 4 | Ki | = | 1040.0 | nM | 5.98 | TR-FRET Assay (BD1: amino acids K57-E168): Compound dilution series were prepare... | - |
Data from ChEMBL 36 via Core Engine