Compound Detail
CHEMBL392556
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)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL392556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXSAWUQKNZJUNW-PMACEKPBSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
503.4
MW (Da)
1.99
ALogP
6
HBA
5
HBD
186.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL5402 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 1-alpha/beta | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of STAT1 dimer DNA binding activity after 30 mins | 17336521 |
| Signal transducer and activator of transcription 3 | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overex... | 22650325 |
| Signal transducer and activator of transcription 3 | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of STAT3 (unknown origin) DNA binding activity by electrophoretic mob... | 31810784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30881608 | 10.1039/C8MD00244D | Signal transducer and activator of transcription 3 | 2 |
| 17336521 | 10.1016/j.bmcl.2007.01.077 | Signal transducer and activator of transcription 1-alpha/beta | 1 |
| 17336521 | 10.1016/j.bmcl.2007.01.077 | Signal transducer and activator of transcription 3 | 1 |
| 22650325 | 10.1021/jm300207s | Signal transducer and activator of transcription 3 | 1 |
| 31810784 | 10.1016/j.ejmech.2019.111922 | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine