Compound Detail
CHEMBL5779221
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Basic Information
| ChEMBL ID | CHEMBL5779221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIPTXOPJOCUKLI-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
3.33
ALogP
7
HBA
1
HBD
99.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT6B CHEMBL3774300 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| Histone acetyltransferase KAT6A CHEMBL3774298 | Ki | 8.3 | 8.295 | 5.0 | 2 |
| Histone acetyltransferase KAT7 CHEMBL3774299 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Histone acetyltransferase KAT5 CHEMBL5750 | Ki | 5.84 | 5.84 | 1440.0 | 1 |
| Histone acetyltransferase KAT8 CHEMBL1932912 | Ki | 5.49 | 5.49 | 3260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT6B | Ki | = | 4.27 | nM | 8.37 | Kat6B Assay 2: A. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
| Histone acetyltransferase KAT6A | Ki | = | 4.98 | nM | 8.3 | Kat6A Assay 2: A. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
| Histone acetyltransferase KAT6A | Ki | = | 5.11 | nM | 8.29 | Kat6A Assay 1: A. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
| Histone acetyltransferase KAT7 | Ki | = | 220.0 | nM | 6.66 | Kat7 Assay: A. Compound preparation 1. Prepare 10 mM stock solutions in 100% ... | - |
| Histone acetyltransferase KAT5 | Ki | = | 1440.0 | nM | 5.84 | Kat5 Assay: A. Compound preparation 1. Prepare 10 mM stock solutions in 100% ... | - |
| Histone acetyltransferase KAT8 | Ki | = | 3260.0 | nM | 5.49 | Kat8 Assay: TBDA. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
Data from ChEMBL 36 via Core Engine