Compound Detail
CHEMBL338621
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL338621 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AWPBLYKSYFKOKD-KMAVCZJNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
626.7
MW (Da)
-0.66
ALogP
8
HBA
8
HBD
229.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoclonal antibody (mAb) 3E7 CHEMBL613295 | IC50 | 7.77 | 7.77 | 17.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoclonal antibody (mAb) 3E7 | IC50 | = | 17.1 | nM | 7.77 | Affinity towards anti-beta-endorphin MAb(Clone 3-E7) using [3H][Leu5]-enkephalin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80224-9 | Monoclonal antibody (mAb) 3E7 | 1 |
Data from ChEMBL 36 via Core Engine