Compound Detail
CHEMBL5941367
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Basic Information
| ChEMBL ID | CHEMBL5941367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMJLJJYAUGSLOT-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.74
ALogP
8
HBA
1
HBD
112.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT6A CHEMBL3774298 | Ki | 9.04 | 9.03 | 0.9 | 2 |
| Histone acetyltransferase KAT6B CHEMBL3774300 | Ki | 8.81 | 8.81 | 1.6 | 1 |
| Histone acetyltransferase KAT7 CHEMBL3774299 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Histone acetyltransferase KAT5 CHEMBL5750 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Histone acetyltransferase KAT8 CHEMBL1932912 | Ki | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT6A | Ki | = | 0.92 | nM | 9.04 | Kat6A Assay 2: A. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
| Histone acetyltransferase KAT6A | Ki | = | 0.95 | nM | 9.02 | Kat6A Assay 1: A. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
| Histone acetyltransferase KAT6B | Ki | = | 1.56 | nM | 8.81 | Kat6B Assay 2: A. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
| Histone acetyltransferase KAT7 | Ki | = | 40.0 | nM | 7.4 | Kat7 Assay: A. Compound preparation 1. Prepare 10 mM stock solutions in 100% ... | - |
| Histone acetyltransferase KAT5 | Ki | = | 200.0 | nM | 6.7 | Kat5 Assay: A. Compound preparation 1. Prepare 10 mM stock solutions in 100% ... | - |
| Histone acetyltransferase KAT8 | Ki | = | 540.0 | nM | 6.27 | Kat8 Assay: TBDA. Compound preparation 1. Prepare 10 mM stock solutions in 10... | - |
Data from ChEMBL 36 via Core Engine