Compound Detail
CHEMBL4856046
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Cc1c(CCN2CC3(CCN(c4nccn5ccnc45)CC3)NC2=O)c(=O)oc2cc(O[C@@H](C)c3ccccc3)ccc12
Basic Information
| ChEMBL ID | CHEMBL4856046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXXFDRBIXJJLGT-QHCPKHFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
578.7
MW (Da)
4.89
ALogP
8
HBA
1
HBD
105.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Immunoglobulin lambda variable 6-57 CHEMBL4739844 | EC50 | 8.26 | 7.93 | 5.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Immunoglobulin lambda variable 6-57 | EC50 | = | 5.5 | nM | 8.26 | Stabilization of AL patient derived fluorescein-labeled IGLV6-57 T46L/F49Y mutan... | 33939422 |
| Immunoglobulin lambda variable 6-57 | EC50 | = | 25.2 | nM | 7.6 | Stabilization of AL patient derived full length fluorescein-labeled IGLV6-57 exp... | 33939422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33939422 | 10.1021/acs.jmedchem.1c00339 | Immunoglobulin lambda variable 6-57 | 2 |
| 33939422 | 10.1021/acs.jmedchem.1c00339 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine