Compound Detail
CHEMBL509144
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CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=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](CCC(N)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)[C@H](C)O
Basic Information
| ChEMBL ID | CHEMBL509144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SATALGVJXYLVMN-HJRXVMLTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
3008.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12090.0 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 4.76 | 4.76 | 17350.0 | 1 |
| Histone acetyltransferase KAT5 CHEMBL5750 | IC50 | 4.68 | 4.68 | 20910.0 | 1 |
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 4.22 | 4.22 | 60540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12090.0 | nM | 4.92 | Inhibition of His6x-tagged yeast recombinant Esa1 (105-445) expressed in Escheri... | 19114310 |
| Histone acetyltransferase p300 | IC50 | = | 17350.0 | nM | 4.76 | Inhibition of recombinant p300 | 19114310 |
| Histone acetyltransferase KAT5 | IC50 | = | 20910.0 | nM | 4.68 | Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3)... | 19114310 |
| Histone acetyltransferase KAT2B | IC50 | = | 60540.0 | nM | 4.22 | Inhibition of PCAF HAT domain (493-658) 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 |
Data from ChEMBL 36 via Core Engine