Compound Detail
CHEMBL4862037
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CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5ncnc6[nH]ncc56)CC4)C3=O)c(=O)oc2c1
Basic Information
| ChEMBL ID | CHEMBL4862037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAOLPMIKRRBAHR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
544.6
MW (Da)
2.75
ALogP
9
HBA
2
HBD
140.6
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 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Immunoglobulin lambda variable 6-57 CHEMBL4739844 | EC50 | 6.99 | 6.95 | 103.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Immunoglobulin lambda variable 6-57 | EC50 | = | 103.0 | nM | 6.99 | Stabilization of AL patient derived full length fluorescein-labeled IGLV6-57 exp... | 33939422 |
| Immunoglobulin lambda variable 6-57 | EC50 | = | 124.0 | nM | 6.91 | Stabilization of AL patient derived fluorescein-labeled IGLV6-57 T46L/F49Y mutan... | 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 | 2 |
Data from ChEMBL 36 via Core Engine