Compound Detail
CHEMBL612017
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Basic Information
| ChEMBL ID | CHEMBL612017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHMBVCPLDPDESM-RLXKETGRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
-0.09
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoclonal antibody (mAb) 2E2 CHEMBL612442 | Ki | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoclonal antibody (mAb) 2E2 | Ki | = | 95000.0 | nM | 4.02 | Relative binding affinity against human monoclonal antibody 2E2 compared to [3H]... | 14695827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695827 | 10.1021/jm030351z | Monoclonal antibody (mAb) 2E2 | 3 |
Data from ChEMBL 36 via Core Engine