Compound Detail
CHEMBL318367
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Basic Information
| ChEMBL ID | CHEMBL318367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOVRHTDKMNEUSB-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
262.7
MW (Da)
3.10
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 5.45 | 5.45 | 3530.0 | 2 |
| Bos taurus CHEMBL613489 | IC50 | 5.43 | 5.25 | 3700.0 | 2 |
| CREB-binding protein CHEMBL5747 | IC50 | 5.28 | 5.28 | 5280.0 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.24 | 5.24 | 5710.0 | 1 |
| Histone acetyltransferase KAT2A CHEMBL5501 | IC50 | 4.81 | 4.81 | 15470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 3530.0 | nM | 5.45 | Inhibition of histone acetylase activity of human recombinant PCAF expressed in ... | 21353783 |
| Histone acetyltransferase KAT2B | IC50 | = | 3530.0 | nM | 5.45 | Inhibition of recombinant human KAT2B catalytic domain using biotinylated histon... | - |
| Bos taurus | IC50 | = | 3700.0 | nM | 5.43 | In vitro ability to inhibit cartilage breakdown by using 1L-1beta stimulated bov... | - |
| CREB-binding protein | IC50 | = | 5280.0 | nM | 5.28 | Inhibition of recombinant human CBP using biotinylated histone H3 (1 to 21 amino... | - |
| Histone acetyltransferase p300 | IC50 | = | 5710.0 | nM | 5.24 | Inhibition of recombinant human p300 using biotinylated histone H3 (1 to 21 amin... | - |
| Bos taurus | IC50 | = | 8500.0 | nM | 5.07 | In vitro inhibition of human recombinant IL-1-beta-induced breakdown of bovine c... | 7932530 |
| Histone acetyltransferase KAT2A | IC50 | = | 15470.0 | nM | 4.81 | Inhibition of recombinant human KAT2A using biotinylated histone H3 (1 to 21 ami... | - |
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 | CREB-binding protein | 2 |
| - | 10.1039/C4MD00245H | Histone acetyltransferase p300 | 2 |
| 7932530 | 10.1021/jm00045a012 | Bos taurus | 1 |
| - | 10.1016/S0960-894X(01)80782-4 | Bos taurus | 1 |
| 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 | Histone acetyltransferase KAT8 | 1 |
Data from ChEMBL 36 via Core Engine