Compound Detail
CHEMBL394398
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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(N)CCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL394398 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JOIDNYVUKHJLGP-RCDKIEPFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
792.8
MW (Da)
-0.64
ALogP
11
HBA
11
HBD
340.9
PSA (Ų)
0.06
QED
3
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of p56lck SH2 domain by ELISA | 17418581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17418581 | 10.1016/j.bmc.2006.06.059 | Unchecked | 1 |
| 17418581 | 10.1016/j.bmc.2006.06.059 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine