Compound Detail
CHEMBL2087789
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2087789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRHVPBZHRXZPOR-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
2.82
ALogP
6
HBA
0
HBD
52.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 6.4 | 6.31 | 400.0 | 2 |
| Histone acetyltransferase KAT2A CHEMBL5501 | IC50 | 5.21 | 5.21 | 6130.0 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.17 | 5.17 | 6740.0 | 1 |
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA... | 22537109 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human 6x-His tagged BRAF V600E mutant expressed in Sf9 cells by EL... | 22537109 |
| Histone acetyltransferase KAT2A | IC50 | = | 6130.0 | nM | 5.21 | Inhibition of recombinant human KAT2A using biotinylated histone H3 (1 to 21 ami... | - |
| Histone acetyltransferase p300 | IC50 | = | 6740.0 | nM | 5.17 | Inhibition of recombinant human p300 using biotinylated histone H3 (1 to 21 amin... | - |
| Histone acetyltransferase KAT2B | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of recombinant human KAT2B catalytic domain using biotinylated histon... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22537109 | 10.1021/jm3004416 | Serine/threonine-protein kinase B-raf | 2 |
| - | 10.1039/C4MD00245H | Histone acetyltransferase KAT2B | 2 |
| - | 10.1039/C4MD00245H | Histone acetyltransferase KAT2A | 2 |
| - | 10.1039/C4MD00245H | Histone acetyltransferase p300 | 2 |
| - | 10.1039/C4MD00245H | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine