Compound Detail
CHEMBL5959733
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Basic Information
| ChEMBL ID | CHEMBL5959733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRSYJKJJCLKUCZ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
2.91
ALogP
10
HBA
1
HBD
126.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT6A CHEMBL3774298 | Ki | 9.31 | 9.13 | 0.5 | 2 |
| Histone acetyltransferase KAT6B CHEMBL3774300 | Ki | 8.98 | 8.98 | 1.1 | 1 |
| Histone acetyltransferase KAT7 CHEMBL3774299 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Histone acetyltransferase KAT5 CHEMBL5750 | Ki | 6.57 | 6.57 | 270.0 | 1 |
| Histone acetyltransferase KAT8 CHEMBL1932912 | Ki | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT6A | Ki | = | 0.49 | nM | 9.31 | Kat6A Assay 2: A. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
| Histone acetyltransferase KAT6B | Ki | = | 1.05 | nM | 8.98 | Kat6B Assay 2: A. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
| Histone acetyltransferase KAT6A | Ki | = | 1.12 | nM | 8.95 | Kat6A Assay 1: A. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
| Histone acetyltransferase KAT7 | Ki | = | 50.0 | nM | 7.3 | Kat7 Assay: A. Compound preparation 1. Prepare 10 mM stock solutions in 100% ... | - |
| Histone acetyltransferase KAT5 | Ki | = | 270.0 | nM | 6.57 | Kat5 Assay: A. Compound preparation 1. Prepare 10 mM stock solutions in 100% ... | - |
| Histone acetyltransferase KAT8 | Ki | = | 420.0 | nM | 6.38 | Kat8 Assay: TBDA. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
Data from ChEMBL 36 via Core Engine