Compound Detail
CHEMBL1795608
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Basic Information
| ChEMBL ID | CHEMBL1795608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZRHOHNOIZWCNF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.15
ALogP
7
HBA
0
HBD
87.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2A CHEMBL5501 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.61 | 5.61 | 2430.0 | 1 |
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2A | IC50 | = | 2040.0 | nM | 5.69 | Inhibition of recombinant human KAT2A using biotinylated histone H3 (1 to 21 ami... | - |
| Histone acetyltransferase p300 | IC50 | = | 2430.0 | nM | 5.61 | Inhibition of recombinant human p300 using biotinylated histone H3 (1 to 21 amin... | - |
| Histone acetyltransferase KAT2B | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of recombinant human KAT2B catalytic domain using biotinylated histon... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353783 | 10.1016/j.bmc.2011.01.063 | Histone acetyltransferase KAT2B | 2 |
| - | 10.1039/C4MD00245H | Histone acetyltransferase KAT2B | 2 |
| - | 10.1039/C4MD00245H | Histone acetyltransferase KAT2A | 2 |
| - | 10.1039/C4MD00245H | Histone acetyltransferase p300 | 2 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | SK-N-SH | 1 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | HCT-116 | 1 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | MCF7 | 1 |
| - | 10.1039/C4MD00245H | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine