Compound Detail
CHEMBL526343
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
CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL526343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLMCIOPRABZQAU-TYQSAAKESA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
3033.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.52
Ki 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2A/KAT2B CHEMBL3885587 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 6.52 | 6.08 | 300.0 | 2 |
| Histone acetyltransferase GCN5 CHEMBL4295593 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4780.0 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.12 | 5.12 | 7540.0 | 1 |
| Histone acetyltransferase KAT5 CHEMBL5750 | IC50 | 4.1 | 4.1 | 79620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2A/KAT2B | Ki | = | 28.0 | nM | 7.55 | Competitive inhibition of recombinant full-length human PCAF catalytic domain/GC... | - |
| Histone acetyltransferase KAT2B | IC50 | = | 300.0 | nM | 6.52 | Inhibition of recombinant FLAG-tagged human PCAF expressed in Baculovirus expres... | 30297119 |
| Histone acetyltransferase GCN5 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Tetrahymena Gcn5 | 30297119 |
| Histone acetyltransferase KAT2B | IC50 | = | 2270.0 | nM | 5.64 | Inhibition of PCAF HAT domain (493-658) expressed in Escherichia coli BL21 (DE3) | 19114310 |
| Unchecked | IC50 | = | 4780.0 | nM | 5.32 | Inhibition of His6x-tagged yeast recombinant Esa1 (105-445) expressed in Escheri... | 19114310 |
| Histone acetyltransferase p300 | IC50 | = | 7540.0 | nM | 5.12 | Inhibition of recombinant p300 | 19114310 |
| Histone acetyltransferase KAT5 | IC50 | = | 79620.0 | nM | 4.1 | Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3)... | 19114310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19114310 | 10.1016/j.bmc.2008.12.014 | Unchecked | 1 |
| 19114310 | 10.1016/j.bmc.2008.12.014 | Histone acetyltransferase KAT5 | 1 |
| 19114310 | 10.1016/j.bmc.2008.12.014 | Histone acetyltransferase p300 | 1 |
| 19114310 | 10.1016/j.bmc.2008.12.014 | Histone acetyltransferase KAT2B | 1 |
| - | 10.1039/C1MD00199J | Unchecked | 1 |
| - | 10.1039/C1MD00199J | Histone acetyltransferase KAT2A/KAT2B | 1 |
| 30297119 | 10.1016/j.bmc.2018.07.048 | Histone acetyltransferase KAT2B | 1 |
| 30297119 | 10.1016/j.bmc.2018.07.048 | Histone acetyltransferase GCN5 | 1 |
Data from ChEMBL 36 via Core Engine