Compound Detail
CHEMBL5557372
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[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5557372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JORFENHUBPMMNJ-ZLKHBANCSA-N |
9
Targets
11
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
1937.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methylcytosine dioxygenase TET1 CHEMBL4523402 | IC50 | 6.59 | 6.585 | 257.0 | 2 |
| Methylcytosine dioxygenase TET2 CHEMBL4523344 | IC50 | 5.27 | 4.945 | 5370.3 | 2 |
| Methylcytosine dioxygenase TET3 CHEMBL4879414 | IC50 | 5.23 | 5.23 | 5888.4 | 1 |
| Methylcytosine dioxygenase TET1 CHEMBL5465312 | IC50 | 5.22 | 5.22 | 6025.6 | 1 |
| Aspartyl/asparaginyl beta-hydroxylase CHEMBL4680030 | IC50 | 4.97 | 4.97 | 10715.2 | 1 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 4.83 | 4.83 | 14791.1 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 4.63 | 4.63 | 23442.3 | 1 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 4.58 | 4.58 | 26302.7 | 1 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 4.51 | 4.51 | 30903.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38262305 | 10.1016/j.bmc.2024.117597 | Unchecked | 7 |
| 38262305 | 10.1016/j.bmc.2024.117597 | Methylcytosine dioxygenase TET1 | 5 |
| 38262305 | 10.1016/j.bmc.2024.117597 | Methylcytosine dioxygenase TET2 | 3 |
| 38262305 | 10.1016/j.bmc.2024.117597 | Methylcytosine dioxygenase TET3 | 2 |
| 38262305 | 10.1016/j.bmc.2024.117597 | Lysine-specific demethylase 5B | 1 |
| 38262305 | 10.1016/j.bmc.2024.117597 | Lysine-specific demethylase 6B | 1 |
| 38262305 | 10.1016/j.bmc.2024.117597 | Egl nine homolog 1 | 1 |
| 38262305 | 10.1016/j.bmc.2024.117597 | Hypoxia-inducible factor 1-alpha | 1 |
| 38262305 | 10.1016/j.bmc.2024.117597 | Aspartyl/asparaginyl beta-hydroxylase | 1 |
| 38262305 | 10.1016/j.bmc.2024.117597 | U2OS | 1 |
Data from ChEMBL 36 via Core Engine