Compound Detail
CHEMBL4867370
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
COC(=O)[C@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)C[C@@H]1CCCN(C(=N)N)C1
Basic Information
| ChEMBL ID | CHEMBL4867370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRNGXYMKYHNMLV-GOTSBHOMSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
2.28
ALogP
4
HBA
3
HBD
108.5
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 5.82
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-2 CHEMBL5880 | Kd | 5.82 | 5.24 | 1500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Albumin CHEMBL3253 | Kd | 5.4 | 5.4 | 4000.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-2 | Kd | = | 1500.0 | nM | 5.82 | Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay | 34821503 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of IL2/IL-2Ralpha (unknown origin) interaction | 34821503 |
| Albumin | Kd | = | 4000.0 | nM | 5.4 | Binding affinity to human serum albumin by fluorescence polarization assay | 34821503 |
| Unchecked | Kd | = | 4900.0 | nM | 5.31 | Binding affinity to AGP (unknown origin) by fluorescence polarization assay | 34821503 |
| Interleukin-2 | Kd | = | 22000.0 | nM | 4.66 | Binding affinity to IL2 (unknown origin) by SPR assay | 34821503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34821503 | 10.1021/acs.jmedchem.1c01693 | Unchecked | 2 |
| 34821503 | 10.1021/acs.jmedchem.1c01693 | Interleukin-2 | 2 |
| 34821503 | 10.1021/acs.jmedchem.1c01693 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine