Compound Detail
CHEMBL4160049
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Basic Information
| ChEMBL ID | CHEMBL4160049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLVDCGIVLSMFEC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL571241 |
| Active Moiety | CHEMBL571241 |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
2.61
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.43
EC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Histone acetyltransferase KAT8 CHEMBL1932912 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) us... | 28527406 |
| Histone acetyltransferase KAT2B | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) usin... | 28527406 |
| No relevant target | EC50 | = | 18000.0 | nM | 4.75 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 28527406 |
| Histone acetyltransferase KAT8 | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues)... | 28527406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28527406 | 10.1016/j.ejmech.2017.05.015 | Histone acetyltransferase KAT8 | 2 |
| 28527406 | 10.1016/j.ejmech.2017.05.015 | Histone acetyltransferase KAT2B | 1 |
| 28527406 | 10.1016/j.ejmech.2017.05.015 | Histone acetyltransferase p300 | 1 |
| 28527406 | 10.1016/j.ejmech.2017.05.015 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine