Compound Detail
CHEMBL6008401
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CCNC(=O)c1cc2c(-c3cc(C(O)(C4CCCC4)C4CC4)cnc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1
Basic Information
| ChEMBL ID | CHEMBL6008401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCJKAJLNHGOSEQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
554.7
MW (Da)
5.88
ALogP
6
HBA
3
HBD
109.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 8.77 | 7.935 | 1.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 1.7 | nM | 8.77 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
| Bromodomain-containing protein 4 | Ki | = | 79.0 | nM | 7.1 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
Data from ChEMBL 36 via Core Engine